(1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol

C19H25NO3 — CID 125467402

IUPAC(1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
SMILESCOc1ccc(CCN[C@H](C)[C@@H](O)c2ccccc2)cc1OC
InChIInChI=1S/C19H25NO3/c1-14(19(21)16-7-5-4-6-8-16)20-12-11-15-9-10-17(22-2)18(13-15)23-3/h4-10,13-14,19-21H,11-12H2,1-3H3/t14-,19-/m1/s1
InChIKeyYUVHUSNUEUAIKC-AUUYWEPGSA-N
MW315.41 g/mol
LogP2.96
Rot. Bonds8

About (1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol

(1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol (PubChem CID 125467402) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
PubChem CID125467402
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
SMILESCOc1ccc(CCN[C@H](C)[C@@H](O)c2ccccc2)cc1OC
InChIInChI=1S/C19H25NO3/c1-14(19(21)16-7-5-4-6-8-16)20-12-11-15-9-10-17(22-2)18(13-15)23-3/h4-10,13-14,19-21H,11-12H2,1-3H3/t14-,19-/m1/s1
InChIKeyYUVHUSNUEUAIKC-AUUYWEPGSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
CID 125467405
2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 12999288
4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-2-methylphenol
CID 110184275
1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
(2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-phenylacetic acid
CID 57178217
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol
CID 667229
1-(3,4-dimethoxyphenyl)-2-(2-fluoroethylamino)propan-1-ol
CID 155431279
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 119164539
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43823384
1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 41327613
(2R)-2-[4-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]phenoxy]propanoic acid
CID 67002110

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol?
The IUPAC name of (1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol (CID 125467402) is (1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol is COc1ccc(CCN[C@H](C)[C@@H](O)c2ccccc2)cc1OC.
What is the InChIKey of (1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol?
The InChIKey is YUVHUSNUEUAIKC-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H25NO3/c1-14(19(21)16-7-5-4-6-8-16)20-12-11-15-9-10-17(22-2)18(13-15)23-3/h4-10,13-14,19-21H,11-12H2,1-3H3/t14-,19-/m1/s1.
What are the key properties of (1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol?
(1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol has a molecular weight of 315.41 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 125467402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).