[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexyl]methanol

C17H27NO — CID 55055377

IUPAC[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexyl]methanol
SMILESCc1ccccc1CN(C)CC1(CO)CCCCC1
InChIInChI=1S/C17H27NO/c1-15-8-4-5-9-16(15)12-18(2)13-17(14-19)10-6-3-7-11-17/h4-5,8-9,19H,3,6-7,10-14H2,1-2H3
InChIKeyPJVZJMXGVFVNGP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.37
Rot. Bonds5

About [1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexyl]methanol

[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexyl]methanol (PubChem CID 55055377) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexyl]methanol
PubChem CID55055377
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexyl]methanol
SMILESCc1ccccc1CN(C)CC1(CO)CCCCC1
InChIInChI=1S/C17H27NO/c1-15-8-4-5-9-16(15)12-18(2)13-17(14-19)10-6-3-7-11-17/h4-5,8-9,19H,3,6-7,10-14H2,1-2H3
InChIKeyPJVZJMXGVFVNGP-UHFFFAOYSA-N
XLogP3.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(2-methylphenyl)methanamine
CID 65009087
N-[[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclopentyl]methyl]propan-2-amine
CID 62259481
[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62265112
2-[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclopropyl]acetonitrile
CID 65495276
4-fluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]methyl]phenol
CID 56720245
N-[[1-(bromomethyl)cycloheptyl]methyl]-1-(2-bromophenyl)-N-methylmethanamine
CID 65010325
2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid
CID 65242856
[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62267034
[1-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]cyclopropyl]methanol
CID 115243599
[1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243516
1-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 62270870
1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol
CID 79074275

Frequently Asked Questions

What is the IUPAC name of [1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexyl]methanol (CID 55055377) is [1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexyl]methanol is Cc1ccccc1CN(C)CC1(CO)CCCCC1.
What is the InChIKey of [1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexyl]methanol?
The InChIKey is PJVZJMXGVFVNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-15-8-4-5-9-16(15)12-18(2)13-17(14-19)10-6-3-7-11-17/h4-5,8-9,19H,3,6-7,10-14H2,1-2H3.
What are the key properties of [1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexyl]methanol?
[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexyl]methanol has a molecular weight of 261.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 55055377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).