1-[1-[(3-chlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]azetidine

C21H24ClNO — CID 59547808

IUPAC1-[1-[(3-chlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]azetidine
SMILESCOc1ccc2c(c1)C(Cc1cccc(Cl)c1)C(N1CCC1)CC2
InChIInChI=1S/C21H24ClNO/c1-24-18-8-6-16-7-9-21(23-10-3-11-23)20(19(16)14-18)13-15-4-2-5-17(22)12-15/h2,4-6,8,12,14,20-21H,3,7,9-11,13H2,1H3
InChIKeyHTYPRRMGMRIGHD-UHFFFAOYSA-N
MW341.88 g/mol
LogP4.70
Rot. Bonds4

About 1-[1-[(3-chlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]azetidine

1-[1-[(3-chlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]azetidine (PubChem CID 59547808) has the molecular formula C21H24ClNO and a molecular weight of 341.88 g/mol. Its IUPAC name is 1-[1-[(3-chlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]azetidine.

Molecular Properties

Compound Name1-[1-[(3-chlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]azetidine
PubChem CID59547808
Molecular FormulaC21H24ClNO
Molecular Weight341.88 g/mol
Exact Mass341.15
IUPAC Name1-[1-[(3-chlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]azetidine
SMILESCOc1ccc2c(c1)C(Cc1cccc(Cl)c1)C(N1CCC1)CC2
InChIInChI=1S/C21H24ClNO/c1-24-18-8-6-16-7-9-21(23-10-3-11-23)20(19(16)14-18)13-15-4-2-5-17(22)12-15/h2,4-6,8,12,14,20-21H,3,7,9-11,13H2,1H3
InChIKeyHTYPRRMGMRIGHD-UHFFFAOYSA-N
XLogP4.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[8-[(3-chlorophenyl)methyl]-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide
CID 59547811
4-[3-[[7-(azetidin-1-yl)-8-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propylsulfonyl]-1-methylimidazole;hydrochloride
CID 160821680
N-[2-[[7-(azetidin-1-yl)-8-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-methylpyrazole-4-sulfonamide
CID 57487165
N-[2-[[7-(azetidin-1-yl)-8-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-2-methyl-3,4-dihydropyrazole-4-sulfonamide
CID 163608733
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139
[(7S,8R)-7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl] trifluoromethanesulfonate
CID 118023315
1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 57467189
4-[3-[[8-[(3,4-dichlorophenyl)methyl]-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propylsulfonyl]-1-methylimidazole
CID 161188364
4-benzyl-9-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline
CID 14039984
7-methoxy-2-(4-methylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79234946
2-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-[dihydroxy-(1-methylpyrrol-3-yl)-λ4-sulfanyl]ethanamine
CID 91060824
2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43184261

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]azetidine?
The IUPAC name of 1-[1-[(3-chlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]azetidine (CID 59547808) is 1-[1-[(3-chlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]azetidine.
What is the SMILES notation for 1-[1-[(3-chlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]azetidine?
The canonical SMILES for 1-[1-[(3-chlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]azetidine is COc1ccc2c(c1)C(Cc1cccc(Cl)c1)C(N1CCC1)CC2.
What is the InChIKey of 1-[1-[(3-chlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]azetidine?
The InChIKey is HTYPRRMGMRIGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO/c1-24-18-8-6-16-7-9-21(23-10-3-11-23)20(19(16)14-18)13-15-4-2-5-17(22)12-15/h2,4-6,8,12,14,20-21H,3,7,9-11,13H2,1H3.
What are the key properties of 1-[1-[(3-chlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]azetidine?
1-[1-[(3-chlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]azetidine has a molecular weight of 341.88 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]azetidine is sourced from PubChem (CID 59547808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).