2-[methyl(propyl)amino]-4-phenylcyclohexane-1-carboxylic acid

C17H25NO2 — CID 63066865

IUPAC2-[methyl(propyl)amino]-4-phenylcyclohexane-1-carboxylic acid
SMILESCCCN(C)C1CC(c2ccccc2)CCC1C(=O)O
InChIInChI=1S/C17H25NO2/c1-3-11-18(2)16-12-14(9-10-15(16)17(19)20)13-7-5-4-6-8-13/h4-8,14-16H,3,9-12H2,1-2H3,(H,19,20)
InChIKeyOHIVIBMQAVANHF-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.37
Rot. Bonds5

About 2-[methyl(propyl)amino]-4-phenylcyclohexane-1-carboxylic acid

2-[methyl(propyl)amino]-4-phenylcyclohexane-1-carboxylic acid (PubChem CID 63066865) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[methyl(propyl)amino]-4-phenylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(propyl)amino]-4-phenylcyclohexane-1-carboxylic acid
PubChem CID63066865
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[methyl(propyl)amino]-4-phenylcyclohexane-1-carboxylic acid
SMILESCCCN(C)C1CC(c2ccccc2)CCC1C(=O)O
InChIInChI=1S/C17H25NO2/c1-3-11-18(2)16-12-14(9-10-15(16)17(19)20)13-7-5-4-6-8-13/h4-8,14-16H,3,9-12H2,1-2H3,(H,19,20)
InChIKeyOHIVIBMQAVANHF-UHFFFAOYSA-N
XLogP3.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylamino)-4-phenylcyclohexane-1-carboxylic acid
CID 63068055
cis-(1R,2S)-4-phenylcyclohexane-1,2-dicarboxylic acid
CID 58895627
2-[butyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 63068922
2-N-butyl-2-N-methyl-4-phenylcyclohexane-1,2-diamine
CID 43100966
(3-methylcyclopentyl)benzene;propane
CID 142973096
2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 63068292
2-[[2-(aminomethyl)-5-phenylcyclohexyl]-propylamino]ethanol
CID 61424825
2-butan-2-ylsulfanyl-4-phenylcyclohexane-1-carboxylic acid
CID 63097716
(1S,2S,4S)-2-benzoyl-4-phenylcyclohexane-1-carboxylic acid
CID 101034358
(1S,2S,4S)-2-[methyl(propyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 159954904
2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid
CID 63725690
1-(4-phenylcyclohexyl)propan-1-one
CID 13042788

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propyl)amino]-4-phenylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[methyl(propyl)amino]-4-phenylcyclohexane-1-carboxylic acid (CID 63066865) is 2-[methyl(propyl)amino]-4-phenylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl(propyl)amino]-4-phenylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[methyl(propyl)amino]-4-phenylcyclohexane-1-carboxylic acid is CCCN(C)C1CC(c2ccccc2)CCC1C(=O)O.
What is the InChIKey of 2-[methyl(propyl)amino]-4-phenylcyclohexane-1-carboxylic acid?
The InChIKey is OHIVIBMQAVANHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-11-18(2)16-12-14(9-10-15(16)17(19)20)13-7-5-4-6-8-13/h4-8,14-16H,3,9-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[methyl(propyl)amino]-4-phenylcyclohexane-1-carboxylic acid?
2-[methyl(propyl)amino]-4-phenylcyclohexane-1-carboxylic acid has a molecular weight of 275.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propyl)amino]-4-phenylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 63066865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).