3-amino-1-[3-(2-phenylethylamino)phenyl]propan-1-ol

C17H22N2O — CID 59316981

IUPAC3-amino-1-[3-(2-phenylethylamino)phenyl]propan-1-ol
SMILESNCCC(O)c1cccc(NCCc2ccccc2)c1
InChIInChI=1S/C17H22N2O/c18-11-9-17(20)15-7-4-8-16(13-15)19-12-10-14-5-2-1-3-6-14/h1-8,13,17,19-20H,9-12,18H2
InChIKeyYDQHAENCPXSSRA-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.72
Rot. Bonds7

About 3-amino-1-[3-(2-phenylethylamino)phenyl]propan-1-ol

3-amino-1-[3-(2-phenylethylamino)phenyl]propan-1-ol (PubChem CID 59316981) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-amino-1-[3-(2-phenylethylamino)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-(2-phenylethylamino)phenyl]propan-1-ol
PubChem CID59316981
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-amino-1-[3-(2-phenylethylamino)phenyl]propan-1-ol
SMILESNCCC(O)c1cccc(NCCc2ccccc2)c1
InChIInChI=1S/C17H22N2O/c18-11-9-17(20)15-7-4-8-16(13-15)19-12-10-14-5-2-1-3-6-14/h1-8,13,17,19-20H,9-12,18H2
InChIKeyYDQHAENCPXSSRA-UHFFFAOYSA-N
XLogP2.72
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(2-phenylethylamino)phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-(2-phenylethylamino)phenyl]propan-1-ol (CID 59316981) is 3-amino-1-[3-(2-phenylethylamino)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-(2-phenylethylamino)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-(2-phenylethylamino)phenyl]propan-1-ol is NCCC(O)c1cccc(NCCc2ccccc2)c1.
What is the InChIKey of 3-amino-1-[3-(2-phenylethylamino)phenyl]propan-1-ol?
The InChIKey is YDQHAENCPXSSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c18-11-9-17(20)15-7-4-8-16(13-15)19-12-10-14-5-2-1-3-6-14/h1-8,13,17,19-20H,9-12,18H2.
What are the key properties of 3-amino-1-[3-(2-phenylethylamino)phenyl]propan-1-ol?
3-amino-1-[3-(2-phenylethylamino)phenyl]propan-1-ol has a molecular weight of 270.38 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(2-phenylethylamino)phenyl]propan-1-ol is sourced from PubChem (CID 59316981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).