4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid

C19H23NO3 — CID 120509661

IUPAC4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(CNC2CCC(C(=O)O)CC2)c2ccccc12
InChIInChI=1S/C19H23NO3/c1-23-18-11-8-14(16-4-2-3-5-17(16)18)12-20-15-9-6-13(7-10-15)19(21)22/h2-5,8,11,13,15,20H,6-7,9-10,12H2,1H3,(H,21,22)
InChIKeyWBQDNBQFDQGBAM-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.58
Rot. Bonds5

About 4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid

4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 120509661) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID120509661
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(CNC2CCC(C(=O)O)CC2)c2ccccc12
InChIInChI=1S/C19H23NO3/c1-23-18-11-8-14(16-4-2-3-5-17(16)18)12-20-15-9-6-13(7-10-15)19(21)22/h2-5,8,11,13,15,20H,6-7,9-10,12H2,1H3,(H,21,22)
InChIKeyWBQDNBQFDQGBAM-UHFFFAOYSA-N
XLogP3.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]methanone
CID 56808713
4-[(2-methoxy-4-phenylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509709
4-[(2-hydroxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65054526
1-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 56808728
N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine
CID 115671454
4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809553
4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60809174
N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine
CID 78943425
4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509612
4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 122031371
4-[(6-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509635
4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509881

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid (CID 120509661) is 4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid is COc1ccc(CNC2CCC(C(=O)O)CC2)c2ccccc12.
What is the InChIKey of 4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is WBQDNBQFDQGBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-23-18-11-8-14(16-4-2-3-5-17(16)18)12-20-15-9-6-13(7-10-15)19(21)22/h2-5,8,11,13,15,20H,6-7,9-10,12H2,1H3,(H,21,22).
What are the key properties of 4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid?
4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 313.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120509661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).