3-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol

C16H16ClNO — CID 101452228

IUPAC3-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol
SMILESOCCC(/N=C/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H16ClNO/c17-15-8-6-13(7-9-15)12-18-16(10-11-19)14-4-2-1-3-5-14/h1-9,12,16,19H,10-11H2/b18-12+
InChIKeyFHZHCISYLRJEQD-LDADJPATSA-N
MW273.76 g/mol
LogP3.88
Rot. Bonds5

About 3-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol

3-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol (PubChem CID 101452228) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol
PubChem CID101452228
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name3-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol
SMILESOCCC(/N=C/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H16ClNO/c17-15-8-6-13(7-9-15)12-18-16(10-11-19)14-4-2-1-3-5-14/h1-9,12,16,19H,10-11H2/b18-12+
InChIKeyFHZHCISYLRJEQD-LDADJPATSA-N
XLogP3.88
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2Z,3S,4S)-2-[(4-chlorophenyl)methylidene]-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium bromide
CID 134883777
(2S)-2-[(3,5-dichlorophenyl)methylideneamino]-2-phenylethanol
CID 11197151
3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-3-phenylpropan-1-ol
CID 57138729
3-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol
CID 67788015
3-[Benzyl(methyl)amino]-3-(4-chlorophenyl)propan-1-ol
CID 69169139
6-[1-(4-Chlorophenyl)-3-phenylprop-1-en-2-yl]-2,3,4,5-tetrahydropyridin-4-ol
CID 134235561
6-[(E)-1-(4-chlorophenyl)-3-phenylprop-1-en-2-yl]-2,3,4,5-tetrahydropyridin-4-ol
CID 137436768
2-(Benzylideneamino)-2-phenylethanol;ethane
CID 141892977
2-[(3,5-Dichlorophenyl)methylideneamino]-2-phenylethanol;ethane
CID 141892981
(2S)-2-[(3-chloro-5-methylphenyl)methylideneamino]-2-phenylethanol
CID 141963313
trans-(1R,2R)-2-[(4-chlorophenyl)methylideneamino]cyclohexan-1-ol
CID 10354167
cis-(1R,2S)-2-[(4-chlorophenyl)methylideneamino]cyclohexan-1-ol
CID 10399288

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol?
The IUPAC name of 3-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol (CID 101452228) is 3-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 3-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol?
The canonical SMILES for 3-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol is OCCC(/N=C/c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol?
The InChIKey is FHZHCISYLRJEQD-LDADJPATSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-15-8-6-13(7-9-15)12-18-16(10-11-19)14-4-2-1-3-5-14/h1-9,12,16,19H,10-11H2/b18-12+.
What are the key properties of 3-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol?
3-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol has a molecular weight of 273.76 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 101452228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).