1-[(4-chlorophenyl)methylideneamino]-3-cyclobutylpropan-2-ol

C14H18ClNO — CID 123970810

IUPAC1-[(4-chlorophenyl)methylideneamino]-3-cyclobutylpropan-2-ol
SMILESOC(C/N=C/c1ccc(Cl)cc1)CC1CCC1
InChIInChI=1S/C14H18ClNO/c15-13-6-4-12(5-7-13)9-16-10-14(17)8-11-2-1-3-11/h4-7,9,11,14,17H,1-3,8,10H2/b16-9+
InChIKeyOXAMYLWRVPALSP-CXUHLZMHSA-N
MW251.76 g/mol
LogP3.31
Rot. Bonds5

About 1-[(4-chlorophenyl)methylideneamino]-3-cyclobutylpropan-2-ol

1-[(4-chlorophenyl)methylideneamino]-3-cyclobutylpropan-2-ol (PubChem CID 123970810) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylideneamino]-3-cyclobutylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylideneamino]-3-cyclobutylpropan-2-ol
PubChem CID123970810
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-[(4-chlorophenyl)methylideneamino]-3-cyclobutylpropan-2-ol
SMILESOC(C/N=C/c1ccc(Cl)cc1)CC1CCC1
InChIInChI=1S/C14H18ClNO/c15-13-6-4-12(5-7-13)9-16-10-14(17)8-11-2-1-3-11/h4-7,9,11,14,17H,1-3,8,10H2/b16-9+
InChIKeyOXAMYLWRVPALSP-CXUHLZMHSA-N
XLogP3.31
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.31
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

2-[(4-Chlorobenzylidene)amino]-2-methyl-1-propanol
CID 261936
2-[(4-Chlorophenyl)methylideneamino]ethanol
CID 4617439
2-[(4-Chlorobenzylidene)amino]-1-butanol
CID 2847005
(S)-1-chloro-3-((4-chlorobenzylidene)amino)propan-2-ol
CID 24758908
(1S)-1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol
CID 67302458
(R)-1-chloro-3-{[(4-chlorophenyl)methylene]amino}propan-2-ol
CID 67342572
1-Chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol
CID 67465874
(R)-1-Chloro-3-((4-chlorobenzylidene)amino)propan-2-ol
CID 89762729
(2S)-1-bromo-3-[(4-chlorophenyl)methylideneamino]propan-2-ol
CID 141375245
1-Chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol;ethane
CID 143554297
(2S)-2-[(4-chlorophenyl)methylideneamino]butan-1-ol
CID 867149
(2R)-2-[(4-chlorophenyl)methylideneamino]butan-1-ol
CID 867150

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylideneamino]-3-cyclobutylpropan-2-ol?
The IUPAC name of 1-[(4-chlorophenyl)methylideneamino]-3-cyclobutylpropan-2-ol (CID 123970810) is 1-[(4-chlorophenyl)methylideneamino]-3-cyclobutylpropan-2-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methylideneamino]-3-cyclobutylpropan-2-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methylideneamino]-3-cyclobutylpropan-2-ol is OC(C/N=C/c1ccc(Cl)cc1)CC1CCC1.
What is the InChIKey of 1-[(4-chlorophenyl)methylideneamino]-3-cyclobutylpropan-2-ol?
The InChIKey is OXAMYLWRVPALSP-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-13-6-4-12(5-7-13)9-16-10-14(17)8-11-2-1-3-11/h4-7,9,11,14,17H,1-3,8,10H2/b16-9+.
What are the key properties of 1-[(4-chlorophenyl)methylideneamino]-3-cyclobutylpropan-2-ol?
1-[(4-chlorophenyl)methylideneamino]-3-cyclobutylpropan-2-ol has a molecular weight of 251.76 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylideneamino]-3-cyclobutylpropan-2-ol is sourced from PubChem (CID 123970810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).