4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid

C18H25NO2 — CID 79971547

IUPAC4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNCc2cccc(C3CC3)c2)CC1
InChIInChI=1S/C18H25NO2/c20-18(21)16-6-4-13(5-7-16)11-19-12-14-2-1-3-17(10-14)15-8-9-15/h1-3,10,13,15-16,19H,4-9,11-12H2,(H,20,21)
InChIKeyBCENTQBQEUEIFK-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.54
Rot. Bonds6

About 4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid

4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79971547) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79971547
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNCc2cccc(C3CC3)c2)CC1
InChIInChI=1S/C18H25NO2/c20-18(21)16-6-4-13(5-7-16)11-19-12-14-2-1-3-17(10-14)15-8-9-15/h1-3,10,13,15-16,19H,4-9,11-12H2,(H,20,21)
InChIKeyBCENTQBQEUEIFK-UHFFFAOYSA-N
XLogP3.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79978912
1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705
4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964098
4-[[(3,4-dichlorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532727
4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
CID 122031272
4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 5005578
3-[(3-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 79978495
4-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79529930
4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid;phenylmethanethiol
CID 143767157
4-[[(4-cyanophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532389
4-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532484
4-[[(5-bromothiophen-3-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79531721

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid (CID 79971547) is 4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CNCc2cccc(C3CC3)c2)CC1.
What is the InChIKey of 4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is BCENTQBQEUEIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c20-18(21)16-6-4-13(5-7-16)11-19-12-14-2-1-3-17(10-14)15-8-9-15/h1-3,10,13,15-16,19H,4-9,11-12H2,(H,20,21).
What are the key properties of 4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid?
4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 287.40 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79971547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).