1-(methylamino)-3-(N-phenylanilino)propan-2-ol

C16H20N2O — CID 3159307

IUPAC1-(methylamino)-3-(N-phenylanilino)propan-2-ol
SMILESCNCC(O)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-17-12-16(19)13-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17,19H,12-13H2,1H3
InChIKeyYENJFIYRYULCHU-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.40
Rot. Bonds6

About 1-(methylamino)-3-(N-phenylanilino)propan-2-ol

1-(methylamino)-3-(N-phenylanilino)propan-2-ol (PubChem CID 3159307) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(methylamino)-3-(N-phenylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-(N-phenylanilino)propan-2-ol
PubChem CID3159307
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(methylamino)-3-(N-phenylanilino)propan-2-ol
SMILESCNCC(O)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-17-12-16(19)13-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17,19H,12-13H2,1H3
InChIKeyYENJFIYRYULCHU-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(N-phenylanilino)propan-2-ol?
The IUPAC name of 1-(methylamino)-3-(N-phenylanilino)propan-2-ol (CID 3159307) is 1-(methylamino)-3-(N-phenylanilino)propan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-(N-phenylanilino)propan-2-ol?
The canonical SMILES for 1-(methylamino)-3-(N-phenylanilino)propan-2-ol is CNCC(O)CN(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(methylamino)-3-(N-phenylanilino)propan-2-ol?
The InChIKey is YENJFIYRYULCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-17-12-16(19)13-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17,19H,12-13H2,1H3.
What are the key properties of 1-(methylamino)-3-(N-phenylanilino)propan-2-ol?
1-(methylamino)-3-(N-phenylanilino)propan-2-ol has a molecular weight of 256.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(N-phenylanilino)propan-2-ol is sourced from PubChem (CID 3159307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).