4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol

C16H23NO — CID 79979753

IUPAC4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCc2ccc(C3CC3)cc2)CC1
InChIInChI=1S/C16H23NO/c18-16-9-7-15(8-10-16)17-11-12-1-3-13(4-2-12)14-5-6-14/h1-4,14-18H,5-11H2
InChIKeySJVIEDVRQAQUMN-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.96
Rot. Bonds4

About 4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol

4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol (PubChem CID 79979753) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol
PubChem CID79979753
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCc2ccc(C3CC3)cc2)CC1
InChIInChI=1S/C16H23NO/c18-16-9-7-15(8-10-16)17-11-12-1-3-13(4-2-12)14-5-6-14/h1-4,14-18H,5-11H2
InChIKeySJVIEDVRQAQUMN-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol
CID 107229822
4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 79977776
4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol
CID 79979684
4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol
CID 43178531
N-[(4-cyclopropylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 79969876
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 122039059
4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 115149482
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895
8-[4-[(cyclopropylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63762455
4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol
CID 43233134
2-fluoro-5-[[(4-hydroxycyclohexyl)amino]methyl]benzonitrile
CID 103859971

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol (CID 79979753) is 4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol is OC1CCC(NCc2ccc(C3CC3)cc2)CC1.
What is the InChIKey of 4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is SJVIEDVRQAQUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c18-16-9-7-15(8-10-16)17-11-12-1-3-13(4-2-12)14-5-6-14/h1-4,14-18H,5-11H2.
What are the key properties of 4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol?
4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 79979753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).