2-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-1-phenylethanol

C20H27NO3 — CID 42837199

IUPAC2-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-1-phenylethanol
SMILESCOc1cccc(CN(CC(O)c2ccccc2)C(C)C)c1OC
InChIInChI=1S/C20H27NO3/c1-15(2)21(14-18(22)16-9-6-5-7-10-16)13-17-11-8-12-19(23-3)20(17)24-4/h5-12,15,18,22H,13-14H2,1-4H3
InChIKeyZECMLDNYOVBQKI-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.65
Rot. Bonds8

About 2-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-1-phenylethanol

2-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-1-phenylethanol (PubChem CID 42837199) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-1-phenylethanol
PubChem CID42837199
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-1-phenylethanol
SMILESCOc1cccc(CN(CC(O)c2ccccc2)C(C)C)c1OC
InChIInChI=1S/C20H27NO3/c1-15(2)21(14-18(22)16-9-6-5-7-10-16)13-17-11-8-12-19(23-3)20(17)24-4/h5-12,15,18,22H,13-14H2,1-4H3
InChIKeyZECMLDNYOVBQKI-UHFFFAOYSA-N
XLogP3.65
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-3-phenylmethoxypropan-2-ol
CID 42682374
1-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-3-propan-2-yloxypropan-2-ol
CID 24713571
(2S)-1-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-3-prop-2-ynoxypropan-2-ol
CID 93164606
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 42913829
3-[(2-methoxyphenyl)methyl-propan-2-ylamino]propanoic acid
CID 60833930
2,2-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-propan-2-ylacetamide
CID 19826571
2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol
CID 46007541
2-[[(2,3-dimethoxyphenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 46146150
(2S)-1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93164577
1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007031
1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007827
1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]pentan-2-ol
CID 46007027

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-1-phenylethanol?
The IUPAC name of 2-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-1-phenylethanol (CID 42837199) is 2-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-1-phenylethanol.
What is the SMILES notation for 2-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-1-phenylethanol?
The canonical SMILES for 2-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-1-phenylethanol is COc1cccc(CN(CC(O)c2ccccc2)C(C)C)c1OC.
What is the InChIKey of 2-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-1-phenylethanol?
The InChIKey is ZECMLDNYOVBQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-15(2)21(14-18(22)16-9-6-5-7-10-16)13-17-11-8-12-19(23-3)20(17)24-4/h5-12,15,18,22H,13-14H2,1-4H3.
What are the key properties of 2-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-1-phenylethanol?
2-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-1-phenylethanol has a molecular weight of 329.44 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-1-phenylethanol is sourced from PubChem (CID 42837199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).