4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid

C15H21NO3 — CID 116938818

IUPAC4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1C(N)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H21NO3/c1-19-13-5-3-2-4-12(13)14(16)10-6-8-11(9-7-10)15(17)18/h2-5,10-11,14H,6-9,16H2,1H3,(H,17,18)
InChIKeyNHFYGFBXLIFCGR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.59
Rot. Bonds4

About 4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid

4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 116938818) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
PubChem CID116938818
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1C(N)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H21NO3/c1-19-13-5-3-2-4-12(13)14(16)10-6-8-11(9-7-10)15(17)18/h2-5,10-11,14H,6-9,16H2,1H3,(H,17,18)
InChIKeyNHFYGFBXLIFCGR-UHFFFAOYSA-N
XLogP2.59
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601
4-[amino-(2-bromophenyl)methyl]cyclohexane-1-carboxylic acid
CID 116938824
4-[amino-(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 116938812
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 131274584
(2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105093730
(4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine
CID 105093642
(R)-cyclopropyl-(2-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171211944
4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid
CID 122031584
(R)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine
CID 171201185
2-[(S)-amino(cyclohexyl)methyl]-6-methoxyphenol
CID 171231900

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid (CID 116938818) is 4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid is COc1ccccc1C(N)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is NHFYGFBXLIFCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-13-5-3-2-4-12(13)14(16)10-6-8-11(9-7-10)15(17)18/h2-5,10-11,14H,6-9,16H2,1H3,(H,17,18).
What are the key properties of 4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid?
4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 116938818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).