1-[[[6-[(2-chloro-6-ethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]cyclopropane-1-carboxylic acid

C24H28ClNO3 — CID 129243660

IUPAC1-[[[6-[(2-chloro-6-ethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCc1cccc(Cl)c1COc1ccc2c(c1)CCC(NCC1(C(=O)O)CC1)C2
InChIInChI=1S/C24H28ClNO3/c1-2-16-4-3-5-22(25)21(16)14-29-20-9-7-17-12-19(8-6-18(17)13-20)26-15-24(10-11-24)23(27)28/h3-5,7,9,13,19,26H,2,6,8,10-12,14-15H2,1H3,(H,27,28)
InChIKeyJZGXTNRGCMDZQV-UHFFFAOYSA-N
MW413.95 g/mol
LogP4.79
Rot. Bonds8

About 1-[[[6-[(2-chloro-6-ethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[6-[(2-chloro-6-ethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 129243660) has the molecular formula C24H28ClNO3 and a molecular weight of 413.95 g/mol. Its IUPAC name is 1-[[[6-[(2-chloro-6-ethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[6-[(2-chloro-6-ethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID129243660
Molecular FormulaC24H28ClNO3
Molecular Weight413.95 g/mol
Exact Mass413.18
IUPAC Name1-[[[6-[(2-chloro-6-ethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCc1cccc(Cl)c1COc1ccc2c(c1)CCC(NCC1(C(=O)O)CC1)C2
InChIInChI=1S/C24H28ClNO3/c1-2-16-4-3-5-22(25)21(16)14-29-20-9-7-17-12-19(8-6-18(17)13-20)26-15-24(10-11-24)23(27)28/h3-5,7,9,13,19,26H,2,6,8,10-12,14-15H2,1H3,(H,27,28)
InChIKeyJZGXTNRGCMDZQV-UHFFFAOYSA-N
XLogP4.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[[6-[(2-chloro-6-ethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

2-[1-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]amino]cyclopentyl]acetic acid
CID 129243758
2-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]oxy]acetic acid
CID 129243674
1-[[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]methyl]cyclopropane-1-carboxylic acid
CID 139461870
2-[[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 129243720
3-[[6-[(2,3-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanoic acid
CID 129243730
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 13472347
ethyl 3-[8-[(2-chloro-6-ethylphenyl)methoxy]-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-4-yl]propanoate
CID 129243923
(2S)-N-ethyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 129390519
1-[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine
CID 18361596
N-[[3-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazol-5-yl]methyl]-7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine
CID 140793155
methyl 2-[[(7R)-7-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
CID 67746884
tert-butyl 3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate;6-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-1H-naphthalen-2-one;3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid;diiodomethane;methane
CID 162200324

Frequently Asked Questions

What is the IUPAC name of 1-[[[6-[(2-chloro-6-ethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[6-[(2-chloro-6-ethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]cyclopropane-1-carboxylic acid (CID 129243660) is 1-[[[6-[(2-chloro-6-ethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[6-[(2-chloro-6-ethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[6-[(2-chloro-6-ethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]cyclopropane-1-carboxylic acid is CCc1cccc(Cl)c1COc1ccc2c(c1)CCC(NCC1(C(=O)O)CC1)C2.
What is the InChIKey of 1-[[[6-[(2-chloro-6-ethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is JZGXTNRGCMDZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClNO3/c1-2-16-4-3-5-22(25)21(16)14-29-20-9-7-17-12-19(8-6-18(17)13-20)26-15-24(10-11-24)23(27)28/h3-5,7,9,13,19,26H,2,6,8,10-12,14-15H2,1H3,(H,27,28).
What are the key properties of 1-[[[6-[(2-chloro-6-ethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[6-[(2-chloro-6-ethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 413.95 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[6-[(2-chloro-6-ethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 129243660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).