(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol

C17H21NO2 — CID 10912623

IUPAC(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
SMILESCOc1ccc(CN[C@@H](C)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-13(17(19)15-6-4-3-5-7-15)18-12-14-8-10-16(20-2)11-9-14/h3-11,13,17-19H,12H2,1-2H3/t13-,17+/m0/s1
InChIKeyIPCCISUWBYVNLX-SUMWQHHRSA-N
MW271.36 g/mol
LogP2.91
Rot. Bonds6

About (1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol

(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol (PubChem CID 10912623) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
PubChem CID10912623
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
SMILESCOc1ccc(CN[C@@H](C)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-13(17(19)15-6-4-3-5-7-15)18-12-14-8-10-16(20-2)11-9-14/h3-11,13,17-19H,12H2,1-2H3/t13-,17+/m0/s1
InChIKeyIPCCISUWBYVNLX-SUMWQHHRSA-N
XLogP2.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-2-(naphthalen-2-ylmethylamino)-1-phenylpropan-1-ol
CID 101460872
2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 12999288
2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol
CID 110174261
(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol
CID 102174473
4-[2-(benzylamino)-1-hydroxypropyl]phenol
CID 78021980
4-[(1R)-2-(benzylamino)-1-hydroxypropyl]phenol
CID 71176331
(1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 54310024
(1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol
CID 118706367
(2R)-2-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propan-2-ylacetamide
CID 94640724
3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 122190796
1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol
CID 667229
(1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine
CID 134943527

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol?
The IUPAC name of (1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol (CID 10912623) is (1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol is COc1ccc(CN[C@@H](C)[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of (1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol?
The InChIKey is IPCCISUWBYVNLX-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13(17(19)15-6-4-3-5-7-15)18-12-14-8-10-16(20-2)11-9-14/h3-11,13,17-19H,12H2,1-2H3/t13-,17+/m0/s1.
What are the key properties of (1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol?
(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 10912623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).