4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid

C15H21NO3 — CID 60809214

IUPAC4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(CNC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C15H21NO3/c1-19-14-4-2-3-11(9-14)10-16-13-7-5-12(6-8-13)15(17)18/h2-4,9,12-13,16H,5-8,10H2,1H3,(H,17,18)
InChIKeyAYNQBUBHCBJJKQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.43
Rot. Bonds5

About 4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid

4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 60809214) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID60809214
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(CNC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C15H21NO3/c1-19-14-4-2-3-11(9-14)10-16-13-7-5-12(6-8-13)15(17)18/h2-4,9,12-13,16H,5-8,10H2,1H3,(H,17,18)
InChIKeyAYNQBUBHCBJJKQ-UHFFFAOYSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(3-methoxypropoxy)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509883
4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229032
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile
CID 115150172
4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509612
4-[[3-[(3-cyanophenyl)methoxy]phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509737
4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide
CID 61212060
4-[(4-ethoxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509717
methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 60881675
tert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate
CID 63303226
(4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine
CID 124512291
3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 104587979

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid (CID 60809214) is 4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid is COc1cccc(CNC2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is AYNQBUBHCBJJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-14-4-2-3-11(9-14)10-16-13-7-5-12(6-8-13)15(17)18/h2-4,9,12-13,16H,5-8,10H2,1H3,(H,17,18).
What are the key properties of 4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid?
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60809214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).