2-(aminomethyl)-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol

C17H27NO — CID 65393815

IUPAC2-(aminomethyl)-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol
SMILESCc1cc(C)c(CC2(CN)CCCCC2O)c(C)c1
InChIInChI=1S/C17H27NO/c1-12-8-13(2)15(14(3)9-12)10-17(11-18)7-5-4-6-16(17)19/h8-9,16,19H,4-7,10-11,18H2,1-3H3
InChIKeySXDMPBGVGBNIGW-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.03
Rot. Bonds3

About 2-(aminomethyl)-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol

2-(aminomethyl)-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol (PubChem CID 65393815) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol
PubChem CID65393815
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(aminomethyl)-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol
SMILESCc1cc(C)c(CC2(CN)CCCCC2O)c(C)c1
InChIInChI=1S/C17H27NO/c1-12-8-13(2)15(14(3)9-12)10-17(11-18)7-5-4-6-16(17)19/h8-9,16,19H,4-7,10-11,18H2,1-3H3
InChIKeySXDMPBGVGBNIGW-UHFFFAOYSA-N
XLogP3.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol 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

2-(aminomethyl)-2-[(2-methylphenyl)methyl]cyclohexan-1-ol
CID 65393602
2-(aminomethyl)-5,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol
CID 79866520
2-(aminomethyl)-2-ethylcyclohexan-1-ol
CID 65395057
2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]cyclohexan-1-ol
CID 65394644
2-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 63408341
2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol
CID 65393607
2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82870793
1-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine
CID 55185820
1-[(2,4,6-trimethylphenyl)methyl]cyclooctan-1-amine
CID 80603495
2-(aminomethyl)-2-[(3-bromo-4-fluorophenyl)methyl]cyclohexan-1-ol
CID 65394850
2-(aminomethyl)-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-ol
CID 107310642
[3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine
CID 65403094

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol (CID 65393815) is 2-(aminomethyl)-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol is Cc1cc(C)c(CC2(CN)CCCCC2O)c(C)c1.
What is the InChIKey of 2-(aminomethyl)-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol?
The InChIKey is SXDMPBGVGBNIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-8-13(2)15(14(3)9-12)10-17(11-18)7-5-4-6-16(17)19/h8-9,16,19H,4-7,10-11,18H2,1-3H3.
What are the key properties of 2-(aminomethyl)-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol?
2-(aminomethyl)-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65393815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).