(1S,2R)-3-amino-1-[(3-methoxyphenyl)methylamino]-1-phenylpropan-2-ol

C17H22N2O2 — CID 24897263

IUPAC(1S,2R)-3-amino-1-[(3-methoxyphenyl)methylamino]-1-phenylpropan-2-ol
SMILESCOc1cccc(CN[C@@H](c2ccccc2)[C@H](O)CN)c1
InChIInChI=1S/C17H22N2O2/c1-21-15-9-5-6-13(10-15)12-19-17(16(20)11-18)14-7-3-2-4-8-14/h2-10,16-17,19-20H,11-12,18H2,1H3/t16-,17+/m1/s1
InChIKeyHKJYZPDTQYFGSC-SJORKVTESA-N
MW286.38 g/mol
LogP1.85
Rot. Bonds7

About (1S,2R)-3-amino-1-[(3-methoxyphenyl)methylamino]-1-phenylpropan-2-ol

(1S,2R)-3-amino-1-[(3-methoxyphenyl)methylamino]-1-phenylpropan-2-ol (PubChem CID 24897263) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (1S,2R)-3-amino-1-[(3-methoxyphenyl)methylamino]-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S,2R)-3-amino-1-[(3-methoxyphenyl)methylamino]-1-phenylpropan-2-ol
PubChem CID24897263
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(1S,2R)-3-amino-1-[(3-methoxyphenyl)methylamino]-1-phenylpropan-2-ol
SMILESCOc1cccc(CN[C@@H](c2ccccc2)[C@H](O)CN)c1
InChIInChI=1S/C17H22N2O2/c1-21-15-9-5-6-13(10-15)12-19-17(16(20)11-18)14-7-3-2-4-8-14/h2-10,16-17,19-20H,11-12,18H2,1H3/t16-,17+/m1/s1
InChIKeyHKJYZPDTQYFGSC-SJORKVTESA-N
XLogP1.85
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 66611858
1-amino-1-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 141047767
2-(benzylamino)-2-(3-methoxyphenyl)acetamide
CID 10849658
methyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate
CID 67427493
N-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methylamino]-2-phenylacetamide
CID 46799477
2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 43499761
1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 116757004
(3-methoxyphenyl)methyl 3-amino-2-phenylpropanoate
CID 62879024
methyl 2-(3-methoxyphenyl)-3-phenylpropanoate
CID 21257567
methyl 2-[(3-methoxyphenyl)methylamino]-3-methylbutanoate
CID 60690958
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152
3-[(3-methoxyphenyl)methylamino]butan-1-ol
CID 78998469

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-3-amino-1-[(3-methoxyphenyl)methylamino]-1-phenylpropan-2-ol?
The IUPAC name of (1S,2R)-3-amino-1-[(3-methoxyphenyl)methylamino]-1-phenylpropan-2-ol (CID 24897263) is (1S,2R)-3-amino-1-[(3-methoxyphenyl)methylamino]-1-phenylpropan-2-ol.
What is the SMILES notation for (1S,2R)-3-amino-1-[(3-methoxyphenyl)methylamino]-1-phenylpropan-2-ol?
The canonical SMILES for (1S,2R)-3-amino-1-[(3-methoxyphenyl)methylamino]-1-phenylpropan-2-ol is COc1cccc(CN[C@@H](c2ccccc2)[C@H](O)CN)c1.
What is the InChIKey of (1S,2R)-3-amino-1-[(3-methoxyphenyl)methylamino]-1-phenylpropan-2-ol?
The InChIKey is HKJYZPDTQYFGSC-SJORKVTESA-N. The full InChI is InChI=1S/C17H22N2O2/c1-21-15-9-5-6-13(10-15)12-19-17(16(20)11-18)14-7-3-2-4-8-14/h2-10,16-17,19-20H,11-12,18H2,1H3/t16-,17+/m1/s1.
What are the key properties of (1S,2R)-3-amino-1-[(3-methoxyphenyl)methylamino]-1-phenylpropan-2-ol?
(1S,2R)-3-amino-1-[(3-methoxyphenyl)methylamino]-1-phenylpropan-2-ol has a molecular weight of 286.38 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-3-amino-1-[(3-methoxyphenyl)methylamino]-1-phenylpropan-2-ol is sourced from PubChem (CID 24897263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).