2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid

C16H23NO2 — CID 61446245

IUPAC2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid
SMILESCN(CC1CCCCC1)C(C(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-17(12-13-8-4-2-5-9-13)15(16(18)19)14-10-6-3-7-11-14/h3,6-7,10-11,13,15H,2,4-5,8-9,12H2,1H3,(H,18,19)
InChIKeyQWJMYWPNTSVHRU-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.32
Rot. Bonds5

About 2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid

2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid (PubChem CID 61446245) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid
PubChem CID61446245
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid
SMILESCN(CC1CCCCC1)C(C(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-17(12-13-8-4-2-5-9-13)15(16(18)19)14-10-6-3-7-11-14/h3,6-7,10-11,13,15H,2,4-5,8-9,12H2,1H3,(H,18,19)
InChIKeyQWJMYWPNTSVHRU-UHFFFAOYSA-N
XLogP3.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-N-methyl-1-phenylethanamine
CID 78880741
(2R)-N-(cyclohexylmethyl)-2-(dimethylamino)-2-phenylacetamide
CID 100566223
2-[methyl(oxan-3-ylmethyl)amino]-2-phenylacetohydrazide
CID 63707200
3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide
CID 60963492
N-benzyl-2-[cyclohexylmethyl(methyl)amino]-N-methylpropanamide
CID 112818359
3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol
CID 111489141
4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide
CID 63324123
2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid
CID 79387422
ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate
CID 107399619
N-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine
CID 63655923
(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
N'-(cyclopropylmethyl)-N'-methyl-1-phenylmethanediamine
CID 156529425

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid (CID 61446245) is 2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid is CN(CC1CCCCC1)C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid?
The InChIKey is QWJMYWPNTSVHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17(12-13-8-4-2-5-9-13)15(16(18)19)14-10-6-3-7-11-14/h3,6-7,10-11,13,15H,2,4-5,8-9,12H2,1H3,(H,18,19).
What are the key properties of 2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid?
2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid has a molecular weight of 261.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 61446245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).