2-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-methylpentanoic acid

C18H27NO3 — CID 122128129

IUPAC2-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-methylpentanoic acid
SMILESCOc1ccc2c(c1)CCCC2NCC(CC(C)C)C(=O)O
InChIInChI=1S/C18H27NO3/c1-12(2)9-14(18(20)21)11-19-17-6-4-5-13-10-15(22-3)7-8-16(13)17/h7-8,10,12,14,17,19H,4-6,9,11H2,1-3H3,(H,20,21)
InChIKeyXMRYUSJFEJVJAO-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.41
Rot. Bonds7

About 2-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-methylpentanoic acid

2-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-methylpentanoic acid (PubChem CID 122128129) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-methylpentanoic acid
PubChem CID122128129
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-methylpentanoic acid
SMILESCOc1ccc2c(c1)CCCC2NCC(CC(C)C)C(=O)O
InChIInChI=1S/C18H27NO3/c1-12(2)9-14(18(20)21)11-19-17-6-4-5-13-10-15(22-3)7-8-16(13)17/h7-8,10,12,14,17,19H,4-6,9,11H2,1-3H3,(H,20,21)
InChIKeyXMRYUSJFEJVJAO-UHFFFAOYSA-N
XLogP3.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-cyclopropyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 55172738
6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63981083
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115324453
methyl 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoate
CID 60782387
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
(2R)-2-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119289450
N,N-diethyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetamide
CID 115712646
ethyl 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 61498112
N-ethyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 43574212
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 115359037
6-methoxy-N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115728733

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-methylpentanoic acid (CID 122128129) is 2-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-methylpentanoic acid is COc1ccc2c(c1)CCCC2NCC(CC(C)C)C(=O)O.
What is the InChIKey of 2-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-methylpentanoic acid?
The InChIKey is XMRYUSJFEJVJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-12(2)9-14(18(20)21)11-19-17-6-4-5-13-10-15(22-3)7-8-16(13)17/h7-8,10,12,14,17,19H,4-6,9,11H2,1-3H3,(H,20,21).
What are the key properties of 2-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-methylpentanoic acid?
2-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-methylpentanoic acid has a molecular weight of 305.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 122128129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).