1-(benzylamino)-1-phenylpropan-2-ol

C16H19NO — CID 71723704

IUPAC1-(benzylamino)-1-phenylpropan-2-ol
SMILESCC(O)C(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c1-13(18)16(15-10-6-3-7-11-15)17-12-14-8-4-2-5-9-14/h2-11,13,16-18H,12H2,1H3
InChIKeyQXHBVBACWVEXFG-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.90
Rot. Bonds5

About 1-(benzylamino)-1-phenylpropan-2-ol

1-(benzylamino)-1-phenylpropan-2-ol (PubChem CID 71723704) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(benzylamino)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(benzylamino)-1-phenylpropan-2-ol
PubChem CID71723704
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(benzylamino)-1-phenylpropan-2-ol
SMILESCC(O)C(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c1-13(18)16(15-10-6-3-7-11-15)17-12-14-8-4-2-5-9-14/h2-11,13,16-18H,12H2,1H3
InChIKeyQXHBVBACWVEXFG-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(benzylamino)-1-phenylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid
CID 21219515
(2R,3S)-3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid
CID 18655941
N-benzyl-2-ethyl-1-phenylbutan-1-amine
CID 43734682
(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol
CID 10685271
(2R,3S)-3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid;hydrate
CID 172680795
(2R,3S)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol
CID 15364761
methyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate
CID 67427493
2-[(benzylamino)-phenylmethyl]propanedioic acid
CID 19764581
N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 139633407
3-(benzylamino)-1-phenylbutan-1-ol
CID 70615080
4-[(benzylamino)-phenylmethyl]heptane-3,5-dione
CID 102397500

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-1-phenylpropan-2-ol?
The IUPAC name of 1-(benzylamino)-1-phenylpropan-2-ol (CID 71723704) is 1-(benzylamino)-1-phenylpropan-2-ol.
What is the SMILES notation for 1-(benzylamino)-1-phenylpropan-2-ol?
The canonical SMILES for 1-(benzylamino)-1-phenylpropan-2-ol is CC(O)C(NCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(benzylamino)-1-phenylpropan-2-ol?
The InChIKey is QXHBVBACWVEXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13(18)16(15-10-6-3-7-11-15)17-12-14-8-4-2-5-9-14/h2-11,13,16-18H,12H2,1H3.
What are the key properties of 1-(benzylamino)-1-phenylpropan-2-ol?
1-(benzylamino)-1-phenylpropan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-1-phenylpropan-2-ol is sourced from PubChem (CID 71723704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).