3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol

C16H26N2O — CID 28622087

IUPAC3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol
SMILESCN(C)C1(CNCc2cccc(O)c2)CCCCC1
InChIInChI=1S/C16H26N2O/c1-18(2)16(9-4-3-5-10-16)13-17-12-14-7-6-8-15(19)11-14/h6-8,11,17,19H,3-5,9-10,12-13H2,1-2H3
InChIKeyMSJUNZMUPDGWFP-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.75
Rot. Bonds5

About 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol

3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol (PubChem CID 28622087) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol
PubChem CID28622087
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol
SMILESCN(C)C1(CNCc2cccc(O)c2)CCCCC1
InChIInChI=1S/C16H26N2O/c1-18(2)16(9-4-3-5-10-16)13-17-12-14-7-6-8-15(19)11-14/h6-8,11,17,19H,3-5,9-10,12-13H2,1-2H3
InChIKeyMSJUNZMUPDGWFP-UHFFFAOYSA-N
XLogP2.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 28530508
4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol
CID 28621925
3-[[(1-methylcyclopropyl)methylamino]methyl]phenol
CID 103724255
4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol
CID 79832433
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79036169
1-[[(3,4-dimethoxyphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912471
3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol
CID 103743628
N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-amine
CID 63050334
3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzene-1,2-diol
CID 105415267
1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 79175035
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
CID 78912341
1-[[(4-bromo-3-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 81002628

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol?
The IUPAC name of 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol (CID 28622087) is 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol.
What is the SMILES notation for 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol?
The canonical SMILES for 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol is CN(C)C1(CNCc2cccc(O)c2)CCCCC1.
What is the InChIKey of 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol?
The InChIKey is MSJUNZMUPDGWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(2)16(9-4-3-5-10-16)13-17-12-14-7-6-8-15(19)11-14/h6-8,11,17,19H,3-5,9-10,12-13H2,1-2H3.
What are the key properties of 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol?
3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol is sourced from PubChem (CID 28622087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).