2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol

C19H25NO3 — CID 57000376

IUPAC2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol
SMILESCCC(NCC(O)c1ccccc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H25NO3/c1-4-16(15-10-11-18(22-2)19(12-15)23-3)20-13-17(21)14-8-6-5-7-9-14/h5-12,16-17,20-21H,4,13H2,1-3H3
InChIKeyJIURHPMRWWCKPY-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.48
Rot. Bonds8

About 2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol

2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol (PubChem CID 57000376) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol
PubChem CID57000376
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol
SMILESCCC(NCC(O)c1ccccc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H25NO3/c1-4-16(15-10-11-18(22-2)19(12-15)23-3)20-13-17(21)14-8-6-5-7-9-14/h5-12,16-17,20-21H,4,13H2,1-3H3
InChIKeyJIURHPMRWWCKPY-UHFFFAOYSA-N
XLogP3.48
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3,4-dimethoxyphenyl)butan-2-ylamino]-1-phenylethanol
CID 18628046
(1R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-1-pyridin-3-ylethanol
CID 22881914
1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine
CID 102696299
4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol
CID 43499212
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol
CID 62304367
(1R)-2-[[(2R)-1-(3,4-dimethoxyphenyl)pentan-2-yl]amino]-1-phenylethanol
CID 54523687
4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol
CID 64912152
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide
CID 72717719
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]propanoic acid
CID 82314338
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol?
The IUPAC name of 2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol (CID 57000376) is 2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol.
What is the SMILES notation for 2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol?
The canonical SMILES for 2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol is CCC(NCC(O)c1ccccc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol?
The InChIKey is JIURHPMRWWCKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-4-16(15-10-11-18(22-2)19(12-15)23-3)20-13-17(21)14-8-6-5-7-9-14/h5-12,16-17,20-21H,4,13H2,1-3H3.
What are the key properties of 2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol?
2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol has a molecular weight of 315.41 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol is sourced from PubChem (CID 57000376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).