4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid

C17H23NO2 — CID 79977776

IUPAC4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCc2ccc(C3CC3)cc2)CC1
InChIInChI=1S/C17H23NO2/c19-17(20)15-7-9-16(10-8-15)18-11-12-1-3-13(4-2-12)14-5-6-14/h1-4,14-16,18H,5-11H2,(H,19,20)
InChIKeyGGUVHDDNJAFZAB-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.30
Rot. Bonds5

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

4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 79977776) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID79977776
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCc2ccc(C3CC3)cc2)CC1
InChIInChI=1S/C17H23NO2/c19-17(20)15-7-9-16(10-8-15)18-11-12-1-3-13(4-2-12)14-5-6-14/h1-4,14-16,18H,5-11H2,(H,19,20)
InChIKeyGGUVHDDNJAFZAB-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 122039059
4-[(4-iodophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65478258
4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol
CID 79979753
4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
CID 122031272
4-(1H-pyrrol-3-ylmethylamino)cyclohexane-1-carboxylic acid
CID 115149093
4-[(3-chloro-4-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 81155541
N-[(4-cyclopropylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 79969876
4-(4-chlorophenyl)cyclohexane-1-carboxylic acid
CID 2735792
3-[4-[(cyclopropylamino)methyl]phenyl]propanoic acid;hydrochloride
CID 164606797
4-[[(4-cyclopropylcyclohexyl)amino]methyl]benzoic acid
CID 22501789
3-[(4-methylphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 117027705
4-[(3-ethoxy-4-hydroxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65054528

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid (CID 79977776) is 4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCc2ccc(C3CC3)cc2)CC1.
What is the InChIKey of 4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is GGUVHDDNJAFZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-17(20)15-7-9-16(10-8-15)18-11-12-1-3-13(4-2-12)14-5-6-14/h1-4,14-16,18H,5-11H2,(H,19,20).
What are the key properties of 4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid?
4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 273.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79977776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).