2-(benzhydrylamino)propan-1-ol

C16H19NO — CID 43499566

IUPAC2-(benzhydrylamino)propan-1-ol
SMILESCC(CO)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c1-13(12-18)17-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16-18H,12H2,1H3
InChIKeyJZKKJEWHYVFNQP-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.75
Rot. Bonds5

About 2-(benzhydrylamino)propan-1-ol

2-(benzhydrylamino)propan-1-ol (PubChem CID 43499566) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(benzhydrylamino)propan-1-ol.

Molecular Properties

Compound Name2-(benzhydrylamino)propan-1-ol
PubChem CID43499566
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-(benzhydrylamino)propan-1-ol
SMILESCC(CO)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c1-13(12-18)17-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16-18H,12H2,1H3
InChIKeyJZKKJEWHYVFNQP-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol
CID 114982552
2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol
CID 144917101
(2R)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propan-1-ol
CID 114982550
(3R)-3-(benzhydrylamino)butanoic acid
CID 69229544
(2S)-2-[(2-methylsulfanyl-1-phenylethyl)amino]propan-1-ol
CID 103789127
(2R)-2-(1,2-diphenylethylamino)propan-1-ol
CID 114986946
3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol
CID 79691997
1-(benzhydrylamino)ethylphosphonous acid
CID 21325890
[1-(benzhydrylamino)-2-methylbutyl]phosphonous acid
CID 21325851
3-(benzhydrylamino)-N'-hydroxybutanimidamide
CID 77028150
N-benzhydryl-1-methylsulfonylpropan-2-amine
CID 64629502
4-[(1-methoxypropan-2-ylamino)-phenylmethyl]phenol
CID 43191842

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)propan-1-ol?
The IUPAC name of 2-(benzhydrylamino)propan-1-ol (CID 43499566) is 2-(benzhydrylamino)propan-1-ol.
What is the SMILES notation for 2-(benzhydrylamino)propan-1-ol?
The canonical SMILES for 2-(benzhydrylamino)propan-1-ol is CC(CO)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzhydrylamino)propan-1-ol?
The InChIKey is JZKKJEWHYVFNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13(12-18)17-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16-18H,12H2,1H3.
What are the key properties of 2-(benzhydrylamino)propan-1-ol?
2-(benzhydrylamino)propan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)propan-1-ol is sourced from PubChem (CID 43499566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).