3-[(3-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid

C17H23NO2 — CID 79978495

IUPAC3-[(3-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NCc2cccc(C3CC3)c2)C1
InChIInChI=1S/C17H23NO2/c19-17(20)15-5-2-6-16(10-15)18-11-12-3-1-4-14(9-12)13-7-8-13/h1,3-4,9,13,15-16,18H,2,5-8,10-11H2,(H,19,20)
InChIKeyVVBJKPXFEFKIBM-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.30
Rot. Bonds5

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

3-[(3-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 79978495) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[(3-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID79978495
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-[(3-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NCc2cccc(C3CC3)c2)C1
InChIInChI=1S/C17H23NO2/c19-17(20)15-5-2-6-16(10-15)18-11-12-3-1-4-14(9-12)13-7-8-13/h1,3-4,9,13,15-16,18H,2,5-8,10-11H2,(H,19,20)
InChIKeyVVBJKPXFEFKIBM-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

N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 79978765
N-[(3-cyclopropylphenyl)methyl]cyclopentanamine
CID 79979605
3-[(4-bromo-3-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 81441131
3-[(3-chloro-4-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 81157197
4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79971547
4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol
CID 79979684
3-[(2-chloro-6-hydroxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 113277184
cis-(1R,3S)-3-[(2-bromo-3-hydroxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 167902405
N-[(3-cyclopropylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 107849884
1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705
3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]cyclohexane-1-carboxylic acid
CID 63042810
3-[(cyclobutylamino)methyl]phenol
CID 62416890

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(3-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid (CID 79978495) is 3-[(3-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(3-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(NCc2cccc(C3CC3)c2)C1.
What is the InChIKey of 3-[(3-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is VVBJKPXFEFKIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-17(20)15-5-2-6-16(10-15)18-11-12-3-1-4-14(9-12)13-7-8-13/h1,3-4,9,13,15-16,18H,2,5-8,10-11H2,(H,19,20).
What are the key properties of 3-[(3-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid?
3-[(3-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 3-[(3-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79978495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).