(2S)-1-[[4-(N-phenylanilino)phenyl]methylamino]propan-2-ol

C22H24N2O — CID 51923142

IUPAC(2S)-1-[[4-(N-phenylanilino)phenyl]methylamino]propan-2-ol
SMILESC[C@H](O)CNCc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H24N2O/c1-18(25)16-23-17-19-12-14-22(15-13-19)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,18,23,25H,16-17H2,1H3/t18-/m0/s1
InChIKeyGERPRZSRWJFGGM-SFHVURJKSA-N
MW332.45 g/mol
LogP4.63
Rot. Bonds7

About (2S)-1-[[4-(N-phenylanilino)phenyl]methylamino]propan-2-ol

(2S)-1-[[4-(N-phenylanilino)phenyl]methylamino]propan-2-ol (PubChem CID 51923142) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is (2S)-1-[[4-(N-phenylanilino)phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[4-(N-phenylanilino)phenyl]methylamino]propan-2-ol
PubChem CID51923142
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name(2S)-1-[[4-(N-phenylanilino)phenyl]methylamino]propan-2-ol
SMILESC[C@H](O)CNCc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H24N2O/c1-18(25)16-23-17-19-12-14-22(15-13-19)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,18,23,25H,16-17H2,1H3/t18-/m0/s1
InChIKeyGERPRZSRWJFGGM-SFHVURJKSA-N
XLogP4.63
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[4-(N-phenylanilino)phenyl]methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[[4-(N-phenylanilino)phenyl]methylamino]propan-2-ol (CID 51923142) is (2S)-1-[[4-(N-phenylanilino)phenyl]methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[4-(N-phenylanilino)phenyl]methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[[4-(N-phenylanilino)phenyl]methylamino]propan-2-ol is C[C@H](O)CNCc1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2S)-1-[[4-(N-phenylanilino)phenyl]methylamino]propan-2-ol?
The InChIKey is GERPRZSRWJFGGM-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24N2O/c1-18(25)16-23-17-19-12-14-22(15-13-19)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,18,23,25H,16-17H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-1-[[4-(N-phenylanilino)phenyl]methylamino]propan-2-ol?
(2S)-1-[[4-(N-phenylanilino)phenyl]methylamino]propan-2-ol has a molecular weight of 332.45 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[4-(N-phenylanilino)phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 51923142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).