3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol

C17H27NO — CID 43673906

IUPAC3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol
SMILESCC(C)(C)C1CCCCC1NCc1cccc(O)c1
InChIInChI=1S/C17H27NO/c1-17(2,3)15-9-4-5-10-16(15)18-12-13-7-6-8-14(19)11-13/h6-8,11,15-16,18-19H,4-5,9-10,12H2,1-3H3
InChIKeyXZFUKORJCJUWRV-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.09
Rot. Bonds3

About 3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol

3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol (PubChem CID 43673906) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol
PubChem CID43673906
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol
SMILESCC(C)(C)C1CCCCC1NCc1cccc(O)c1
InChIInChI=1S/C17H27NO/c1-17(2,3)15-9-4-5-10-16(15)18-12-13-7-6-8-14(19)11-13/h6-8,11,15-16,18-19H,4-5,9-10,12H2,1-3H3
InChIKeyXZFUKORJCJUWRV-UHFFFAOYSA-N
XLogP4.09
TPSA32.26 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 ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol 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

3-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]benzonitrile
CID 51683301
2,6-dibromo-4-[[(2-tert-butylcyclohexyl)amino]methyl]phenol
CID 107740537
3-[[[2-(chloromethyl)cyclopentyl]amino]methyl]phenol
CID 106364946
3-[(cyclobutylamino)methyl]phenol
CID 62416890
N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butylcyclohexan-1-amine
CID 43078372
N-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434463
4-[2-[(2-tert-butylcyclohexyl)amino]ethyl]phenol
CID 61236716
3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol
CID 43752315
trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol
CID 93382278
3-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962735
N-[(3-cyclopropylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 79970039
N-benzyl-2-[(2-tert-butylcyclohexyl)amino]acetamide
CID 55868668

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol (CID 43673906) is 3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol is CC(C)(C)C1CCCCC1NCc1cccc(O)c1.
What is the InChIKey of 3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol?
The InChIKey is XZFUKORJCJUWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,3)15-9-4-5-10-16(15)18-12-13-7-6-8-14(19)11-13/h6-8,11,15-16,18-19H,4-5,9-10,12H2,1-3H3.
What are the key properties of 3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol?
3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol has a molecular weight of 261.41 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 43673906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).