[4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol

C18H23NO2 — CID 107230187

IUPAC[4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol
SMILESCOc1cc(C)ccc1C(C)NCc1ccc(CO)cc1
InChIInChI=1S/C18H23NO2/c1-13-4-9-17(18(10-13)21-3)14(2)19-11-15-5-7-16(12-20)8-6-15/h4-10,14,19-20H,11-12H2,1-3H3
InChIKeyCJJQBIAONDGJRR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.35
Rot. Bonds6

About [4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol

[4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol (PubChem CID 107230187) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol
PubChem CID107230187
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol
SMILESCOc1cc(C)ccc1C(C)NCc1ccc(CO)cc1
InChIInChI=1S/C18H23NO2/c1-13-4-9-17(18(10-13)21-3)14(2)19-11-15-5-7-16(12-20)8-6-15/h4-10,14,19-20H,11-12H2,1-3H3
InChIKeyCJJQBIAONDGJRR-UHFFFAOYSA-N
XLogP3.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol 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

1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128
N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43177527
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904386
3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol
CID 65105446
1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43194863
tert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate
CID 81463582
[4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol
CID 103947395
3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol
CID 103783067
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106370665
2-(2-methoxy-4-methylphenyl)propan-1-ol
CID 14432753
4-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43764329
1-cyclopropyl-2-[1-(2-methoxy-4-methylphenyl)ethylamino]ethanol
CID 55171592

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol (CID 107230187) is [4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol is COc1cc(C)ccc1C(C)NCc1ccc(CO)cc1.
What is the InChIKey of [4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol?
The InChIKey is CJJQBIAONDGJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-4-9-17(18(10-13)21-3)14(2)19-11-15-5-7-16(12-20)8-6-15/h4-10,14,19-20H,11-12H2,1-3H3.
What are the key properties of [4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol?
[4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol has a molecular weight of 285.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol is sourced from PubChem (CID 107230187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).