1-(benzhydrylamino)-1-chloropropan-2-ol

C16H18ClNO — CID 89396786

IUPAC1-(benzhydrylamino)-1-chloropropan-2-ol
SMILESCC(O)C(Cl)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18ClNO/c1-12(19)16(17)18-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15-16,18-19H,1H3
InChIKeyQAQMAUFAEZWPRT-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.31
Rot. Bonds5

About 1-(benzhydrylamino)-1-chloropropan-2-ol

1-(benzhydrylamino)-1-chloropropan-2-ol (PubChem CID 89396786) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(benzhydrylamino)-1-chloropropan-2-ol.

Molecular Properties

Compound Name1-(benzhydrylamino)-1-chloropropan-2-ol
PubChem CID89396786
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(benzhydrylamino)-1-chloropropan-2-ol
SMILESCC(O)C(Cl)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18ClNO/c1-12(19)16(17)18-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15-16,18-19H,1H3
InChIKeyQAQMAUFAEZWPRT-UHFFFAOYSA-N
XLogP3.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(benzhydrylamino)propan-1-ol
CID 43499566
1-(benzhydrylamino)ethylphosphonous acid
CID 21325890
N-benzhydryl-1-chloropropan-1-amine
CID 70410579
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708
(2S)-N-benzhydryl-2-chloropropanamide
CID 2113355
(3R)-3-(benzhydrylamino)butanoic acid
CID 69229544
(1S)-1-phenylethanol
CID 157125626
[(1R)-1-chloroethyl]benzene
CID 642190
(2R)-2-(benzhydrylamino)-3-methylbutanamide
CID 54455149
methyl 2-(benzhydrylamino)-3-hydroxy-4-methylpentanoate
CID 102339823
3-(benzhydrylamino)-4-methylpentanoic acid
CID 69228030
azane;(1R)-1-phenylethanol
CID 126646564

Frequently Asked Questions

What is the IUPAC name of 1-(benzhydrylamino)-1-chloropropan-2-ol?
The IUPAC name of 1-(benzhydrylamino)-1-chloropropan-2-ol (CID 89396786) is 1-(benzhydrylamino)-1-chloropropan-2-ol.
What is the SMILES notation for 1-(benzhydrylamino)-1-chloropropan-2-ol?
The canonical SMILES for 1-(benzhydrylamino)-1-chloropropan-2-ol is CC(O)C(Cl)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(benzhydrylamino)-1-chloropropan-2-ol?
The InChIKey is QAQMAUFAEZWPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12(19)16(17)18-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15-16,18-19H,1H3.
What are the key properties of 1-(benzhydrylamino)-1-chloropropan-2-ol?
1-(benzhydrylamino)-1-chloropropan-2-ol has a molecular weight of 275.78 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzhydrylamino)-1-chloropropan-2-ol is sourced from PubChem (CID 89396786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).