[3-[1-(2,5-dimethoxyphenyl)ethylamino]phenyl]methanol

C17H21NO3 — CID 43715147

IUPAC[3-[1-(2,5-dimethoxyphenyl)ethylamino]phenyl]methanol
SMILESCOc1ccc(OC)c(C(C)Nc2cccc(CO)c2)c1
InChIInChI=1S/C17H21NO3/c1-12(18-14-6-4-5-13(9-14)11-19)16-10-15(20-2)7-8-17(16)21-3/h4-10,12,18-19H,11H2,1-3H3
InChIKeyYKNHSVSPXDWTNS-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.37
Rot. Bonds6

About [3-[1-(2,5-dimethoxyphenyl)ethylamino]phenyl]methanol

[3-[1-(2,5-dimethoxyphenyl)ethylamino]phenyl]methanol (PubChem CID 43715147) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is [3-[1-(2,5-dimethoxyphenyl)ethylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[1-(2,5-dimethoxyphenyl)ethylamino]phenyl]methanol
PubChem CID43715147
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name[3-[1-(2,5-dimethoxyphenyl)ethylamino]phenyl]methanol
SMILESCOc1ccc(OC)c(C(C)Nc2cccc(CO)c2)c1
InChIInChI=1S/C17H21NO3/c1-12(18-14-6-4-5-13(9-14)11-19)16-10-15(20-2)7-8-17(16)21-3/h4-10,12,18-19H,11H2,1-3H3
InChIKeyYKNHSVSPXDWTNS-UHFFFAOYSA-N
XLogP3.37
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[1-(2,4-dimethoxyphenyl)ethylamino]phenyl]methanol
CID 43715117
3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106054
[3-[[(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethyl]amino]phenyl]methanol
CID 97088118
3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43765130
[3-[1-(2-fluorophenyl)ethylamino]phenyl]methanol
CID 43715146
[3-[1-(2-bromophenyl)ethylamino]phenyl]methanol
CID 43715152
2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 100702613
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol
CID 107714824
N-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine
CID 43224440
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
(2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol
CID 97232591

Frequently Asked Questions

What is the IUPAC name of [3-[1-(2,5-dimethoxyphenyl)ethylamino]phenyl]methanol?
The IUPAC name of [3-[1-(2,5-dimethoxyphenyl)ethylamino]phenyl]methanol (CID 43715147) is [3-[1-(2,5-dimethoxyphenyl)ethylamino]phenyl]methanol.
What is the SMILES notation for [3-[1-(2,5-dimethoxyphenyl)ethylamino]phenyl]methanol?
The canonical SMILES for [3-[1-(2,5-dimethoxyphenyl)ethylamino]phenyl]methanol is COc1ccc(OC)c(C(C)Nc2cccc(CO)c2)c1.
What is the InChIKey of [3-[1-(2,5-dimethoxyphenyl)ethylamino]phenyl]methanol?
The InChIKey is YKNHSVSPXDWTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(18-14-6-4-5-13(9-14)11-19)16-10-15(20-2)7-8-17(16)21-3/h4-10,12,18-19H,11H2,1-3H3.
What are the key properties of [3-[1-(2,5-dimethoxyphenyl)ethylamino]phenyl]methanol?
[3-[1-(2,5-dimethoxyphenyl)ethylamino]phenyl]methanol has a molecular weight of 287.36 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(2,5-dimethoxyphenyl)ethylamino]phenyl]methanol is sourced from PubChem (CID 43715147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).