4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol

C17H28N2O2 — CID 28621925

IUPAC4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNCC2(N(C)C)CCCCC2)ccc1O
InChIInChI=1S/C17H28N2O2/c1-19(2)17(9-5-4-6-10-17)13-18-12-14-7-8-15(20)16(11-14)21-3/h7-8,11,18,20H,4-6,9-10,12-13H2,1-3H3
InChIKeyYMAQRTLZFCVMJS-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.75
Rot. Bonds6

About 4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol

4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol (PubChem CID 28621925) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol
PubChem CID28621925
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNCC2(N(C)C)CCCCC2)ccc1O
InChIInChI=1S/C17H28N2O2/c1-19(2)17(9-5-4-6-10-17)13-18-12-14-7-8-15(20)16(11-14)21-3/h7-8,11,18,20H,4-6,9-10,12-13H2,1-3H3
InChIKeyYMAQRTLZFCVMJS-UHFFFAOYSA-N
XLogP2.75
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol with MolForge

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Related Compounds

1-[[(3,4-dimethoxyphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912471
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol
CID 115978586
3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol
CID 28622087
1-[5-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 45173198
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
2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 32662300
2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol
CID 103735804
1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 79175035
1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 28530508
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
CID 78912341
4-[[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]methyl]benzene-1,2-diol
CID 61212854

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol (CID 28621925) is 4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol is COc1cc(CNCC2(N(C)C)CCCCC2)ccc1O.
What is the InChIKey of 4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol?
The InChIKey is YMAQRTLZFCVMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-19(2)17(9-5-4-6-10-17)13-18-12-14-7-8-15(20)16(11-14)21-3/h7-8,11,18,20H,4-6,9-10,12-13H2,1-3H3.
What are the key properties of 4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol?
4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol has a molecular weight of 292.42 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 28621925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).