2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol

C22H30N2O2 — CID 118815979

IUPAC2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
SMILESCN(Cc1ccccc1O)C1CCC(N(C)Cc2ccccc2O)CC1
InChIInChI=1S/C22H30N2O2/c1-23(15-17-7-3-5-9-21(17)25)19-11-13-20(14-12-19)24(2)16-18-8-4-6-10-22(18)26/h3-10,19-20,25-26H,11-16H2,1-2H3
InChIKeyCZZBJQWLXUTETP-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.97
Rot. Bonds6

About 2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol

2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol (PubChem CID 118815979) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
PubChem CID118815979
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
SMILESCN(Cc1ccccc1O)C1CCC(N(C)Cc2ccccc2O)CC1
InChIInChI=1S/C22H30N2O2/c1-23(15-17-7-3-5-9-21(17)25)19-11-13-20(14-12-19)24(2)16-18-8-4-6-10-22(18)26/h3-10,19-20,25-26H,11-16H2,1-2H3
InChIKeyCZZBJQWLXUTETP-UHFFFAOYSA-N
XLogP3.97
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]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

2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol
CID 62976073
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol
CID 82976717
2-[2-[[(4-aminocyclohexyl)-methylamino]methyl]phenyl]acetic acid
CID 115463093
acetic acid;copper;2-[[[(1S,2S)-2-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
CID 11496596
2-[[(4-aminocyclohexyl)-methylamino]methyl]-4-chlorophenol
CID 79114977
2-[[cycloheptyl(propan-2-yl)amino]methyl]phenol
CID 158739786
2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 43266778
2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol
CID 112616052
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 82979927
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 63314661
2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol
CID 82974737
2-[[cyclohexyl(methyl)amino]methyl]benzenecarbothioamide
CID 24707191

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol?
The IUPAC name of 2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol (CID 118815979) is 2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol.
What is the SMILES notation for 2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol?
The canonical SMILES for 2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol is CN(Cc1ccccc1O)C1CCC(N(C)Cc2ccccc2O)CC1.
What is the InChIKey of 2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol?
The InChIKey is CZZBJQWLXUTETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-23(15-17-7-3-5-9-21(17)25)19-11-13-20(14-12-19)24(2)16-18-8-4-6-10-22(18)26/h3-10,19-20,25-26H,11-16H2,1-2H3.
What are the key properties of 2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol?
2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol has a molecular weight of 354.49 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol is sourced from PubChem (CID 118815979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).