[1-[(2-cyclopropylphenyl)methylamino]cyclohexyl]methanol

C17H25NO — CID 79984076

IUPAC[1-[(2-cyclopropylphenyl)methylamino]cyclohexyl]methanol
SMILESOCC1(NCc2ccccc2C2CC2)CCCCC1
InChIInChI=1S/C17H25NO/c19-13-17(10-4-1-5-11-17)18-12-15-6-2-3-7-16(15)14-8-9-14/h2-3,6-7,14,18-19H,1,4-5,8-13H2
InChIKeyCVRPYKQCOPCUSD-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.35
Rot. Bonds5

About [1-[(2-cyclopropylphenyl)methylamino]cyclohexyl]methanol

[1-[(2-cyclopropylphenyl)methylamino]cyclohexyl]methanol (PubChem CID 79984076) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [1-[(2-cyclopropylphenyl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2-cyclopropylphenyl)methylamino]cyclohexyl]methanol
PubChem CID79984076
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[1-[(2-cyclopropylphenyl)methylamino]cyclohexyl]methanol
SMILESOCC1(NCc2ccccc2C2CC2)CCCCC1
InChIInChI=1S/C17H25NO/c19-13-17(10-4-1-5-11-17)18-12-15-6-2-3-7-16(15)14-8-9-14/h2-3,6-7,14,18-19H,1,4-5,8-13H2
InChIKeyCVRPYKQCOPCUSD-UHFFFAOYSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2-cyclopropylphenyl)methylamino]cyclobutyl]methanol
CID 113263667
[1-[(2-fluorophenyl)methylamino]cyclohexyl]methanol
CID 55082363
[1-[(2-methylphenyl)methylamino]cyclobutyl]methanol
CID 115733245
[1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62524980
1-(2-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 79984685
[1-[(2,6-dichlorophenyl)methylamino]cyclohexyl]methanol
CID 62520254
[1-[(2,3-dimethylphenyl)methylamino]cyclobutyl]methanol
CID 115733266
3-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carbonitrile
CID 62894414
N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79984326
[2-[(2-cyclopropylphenyl)methylamino]phenyl]methanol
CID 79979361
2-[(2-cyclopropylphenyl)methylamino]acetic acid
CID 79979274
2-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzonitrile
CID 113350351

Frequently Asked Questions

What is the IUPAC name of [1-[(2-cyclopropylphenyl)methylamino]cyclohexyl]methanol?
The IUPAC name of [1-[(2-cyclopropylphenyl)methylamino]cyclohexyl]methanol (CID 79984076) is [1-[(2-cyclopropylphenyl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2-cyclopropylphenyl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[(2-cyclopropylphenyl)methylamino]cyclohexyl]methanol is OCC1(NCc2ccccc2C2CC2)CCCCC1.
What is the InChIKey of [1-[(2-cyclopropylphenyl)methylamino]cyclohexyl]methanol?
The InChIKey is CVRPYKQCOPCUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c19-13-17(10-4-1-5-11-17)18-12-15-6-2-3-7-16(15)14-8-9-14/h2-3,6-7,14,18-19H,1,4-5,8-13H2.
What are the key properties of [1-[(2-cyclopropylphenyl)methylamino]cyclohexyl]methanol?
[1-[(2-cyclopropylphenyl)methylamino]cyclohexyl]methanol has a molecular weight of 259.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-cyclopropylphenyl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 79984076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).