2-[4-[benzyl(methyl)amino]cyclohexyl]propan-2-ol

C17H27NO — CID 158061780

IUPAC2-[4-[benzyl(methyl)amino]cyclohexyl]propan-2-ol
SMILESCN(Cc1ccccc1)C1CCC(C(C)(C)O)CC1
InChIInChI=1S/C17H27NO/c1-17(2,19)15-9-11-16(12-10-15)18(3)13-14-7-5-4-6-8-14/h4-8,15-16,19H,9-13H2,1-3H3
InChIKeyBLVWXTOXVBSDPU-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.45
Rot. Bonds4

About 2-[4-[benzyl(methyl)amino]cyclohexyl]propan-2-ol

2-[4-[benzyl(methyl)amino]cyclohexyl]propan-2-ol (PubChem CID 158061780) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[4-[benzyl(methyl)amino]cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[benzyl(methyl)amino]cyclohexyl]propan-2-ol
PubChem CID158061780
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[4-[benzyl(methyl)amino]cyclohexyl]propan-2-ol
SMILESCN(Cc1ccccc1)C1CCC(C(C)(C)O)CC1
InChIInChI=1S/C17H27NO/c1-17(2,19)15-9-11-16(12-10-15)18(3)13-14-7-5-4-6-8-14/h4-8,15-16,19H,9-13H2,1-3H3
InChIKeyBLVWXTOXVBSDPU-UHFFFAOYSA-N
XLogP3.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane
CID 144654857
2-[(1S,3S)-3-(dibenzylamino)cyclopentyl]propan-2-ol
CID 71227791
N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane
CID 161499393
1-(aminomethyl)-4-[benzyl(methyl)amino]cyclohexan-1-ol
CID 117038127
4-[benzyl(methyl)amino]-1-(methylaminomethyl)cyclohexan-1-ol
CID 117038147
1-[benzyl(cyclopropyl)amino]-2-methylbutan-2-ol
CID 130952113
1-[4-[benzyl(methyl)amino]piperidin-1-yl]-2-chloroethanone
CID 66567050
(3R)-N-benzyl-N-methyloxolan-3-amine
CID 178043856
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
3-[benzyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 117038263
N-benzyl-1-cyclohexyl-N-methylpiperidin-4-amine;oxalic acid
CID 17369346
N-benzyl-4-tert-butyl-N-[(3,5-dichlorophenyl)methyl]cyclohexan-1-amine
CID 141030216

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl(methyl)amino]cyclohexyl]propan-2-ol?
The IUPAC name of 2-[4-[benzyl(methyl)amino]cyclohexyl]propan-2-ol (CID 158061780) is 2-[4-[benzyl(methyl)amino]cyclohexyl]propan-2-ol.
What is the SMILES notation for 2-[4-[benzyl(methyl)amino]cyclohexyl]propan-2-ol?
The canonical SMILES for 2-[4-[benzyl(methyl)amino]cyclohexyl]propan-2-ol is CN(Cc1ccccc1)C1CCC(C(C)(C)O)CC1.
What is the InChIKey of 2-[4-[benzyl(methyl)amino]cyclohexyl]propan-2-ol?
The InChIKey is BLVWXTOXVBSDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,19)15-9-11-16(12-10-15)18(3)13-14-7-5-4-6-8-14/h4-8,15-16,19H,9-13H2,1-3H3.
What are the key properties of 2-[4-[benzyl(methyl)amino]cyclohexyl]propan-2-ol?
2-[4-[benzyl(methyl)amino]cyclohexyl]propan-2-ol has a molecular weight of 261.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzyl(methyl)amino]cyclohexyl]propan-2-ol is sourced from PubChem (CID 158061780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).