(2S)-2-[(4-chlorophenyl)methylideneamino]butan-1-ol

C11H14ClNO — CID 867149

IUPAC(2S)-2-[(4-chlorophenyl)methylideneamino]butan-1-ol
SMILESCC[C@@H](CO)/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO/c1-2-11(8-14)13-7-9-3-5-10(12)6-4-9/h3-7,11,14H,2,8H2,1H3/b13-7+/t11-/m0/s1
InChIKeyVDQBJXFTXLPDIX-DELQEKLWSA-N
MW211.69 g/mol
LogP2.53
Rot. Bonds4

About (2S)-2-[(4-chlorophenyl)methylideneamino]butan-1-ol

(2S)-2-[(4-chlorophenyl)methylideneamino]butan-1-ol (PubChem CID 867149) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)methylideneamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)methylideneamino]butan-1-ol
PubChem CID867149
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name(2S)-2-[(4-chlorophenyl)methylideneamino]butan-1-ol
SMILESCC[C@@H](CO)/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO/c1-2-11(8-14)13-7-9-3-5-10(12)6-4-9/h3-7,11,14H,2,8H2,1H3/b13-7+/t11-/m0/s1
InChIKeyVDQBJXFTXLPDIX-DELQEKLWSA-N
XLogP2.53
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.53
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

[(4-Chlorophenyl)methylidene](methyl)amine
CID 11062589
N-(3,4-Dichlorobenzylidene)ethanolamine
CID 96999
2-[(E)-(4-chlorophenyl)methylideneamino]oxyethanol
CID 12385394
2-[(Z)-(4-chlorophenyl)methylideneamino]oxyethanol
CID 12385395
2-[(4-Chlorobenzylidene)amino]-2-methyl-1-propanol
CID 261936
3-[(2,4-Dichlorophenyl)methylideneamino]propan-1-ol
CID 2185359
(S)-2-(Benzylideneamino)-3-methylbutan-1-ol
CID 10726389
N-tert-butyl-1-(4-chlorophenyl)methanimine
CID 11424127
1-(4-chlorophenyl)-N-ethylmethanimine
CID 12927004
Methyl 2-(4-chlorobenzylideneamino)-3-hydroxypropanoate
CID 86171147
2-[(4-Chlorophenyl)methylideneamino]ethanol
CID 4617439
(z)-1-(4-chlorophenyl)-N-isopropylmethanimine oxide
CID 10512144

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)methylideneamino]butan-1-ol?
The IUPAC name of (2S)-2-[(4-chlorophenyl)methylideneamino]butan-1-ol (CID 867149) is (2S)-2-[(4-chlorophenyl)methylideneamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)methylideneamino]butan-1-ol?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)methylideneamino]butan-1-ol is CC[C@@H](CO)/N=C/c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)methylideneamino]butan-1-ol?
The InChIKey is VDQBJXFTXLPDIX-DELQEKLWSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-2-11(8-14)13-7-9-3-5-10(12)6-4-9/h3-7,11,14H,2,8H2,1H3/b13-7+/t11-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)methylideneamino]butan-1-ol?
(2S)-2-[(4-chlorophenyl)methylideneamino]butan-1-ol has a molecular weight of 211.69 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)methylideneamino]butan-1-ol is sourced from PubChem (CID 867149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).