1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol

C10H11Cl2NO — CID 67465874

IUPAC1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol
SMILESCC(O)C(Cl)N=Cc1ccc(Cl)cc1
InChIInChI=1S/C10H11Cl2NO/c1-7(14)10(12)13-6-8-2-4-9(11)5-3-8/h2-7,10,14H,1H3
InChIKeySFWWMALDIPCQNI-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.70
Rot. Bonds3

About 1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol

1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol (PubChem CID 67465874) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol
PubChem CID67465874
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol
SMILESCC(O)C(Cl)N=Cc1ccc(Cl)cc1
InChIInChI=1S/C10H11Cl2NO/c1-7(14)10(12)13-6-8-2-4-9(11)5-3-8/h2-7,10,14H,1H3
InChIKeySFWWMALDIPCQNI-UHFFFAOYSA-N
XLogP2.70
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-propan-2-ylmethanimine
CID 11622447
2-[(4-chlorophenyl)methylideneamino]propanoate
CID 19426325
(1S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]-1-iodopropan-2-ol
CID 69134663
1-(4-chlorophenyl)-N-(1-methoxypropyl)methanimine
CID 71378549
(E)-4-(4-chlorophenyl)but-3-en-2-ol
CID 11019514
(E)-1-(4-chlorophenyl)-N-[[(E)-(4-chlorophenyl)methylideneamino]-phenylmethyl]methanimine
CID 24721019
(2R)-2-[(4-chlorophenyl)methylideneamino]-2-phenylethanol
CID 11253959
carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium
CID 178127818
methyl 2-[(4-chlorophenyl)methylideneamino]-3-hydroxypropanoate
CID 86171147
CID 10012124
CID 10012124
1-(4-chlorophenyl)-N-ethylmethanimine
CID 12927004
(Z)-1-(4-chlorophenyl)-N-methoxymethanimine
CID 5374184

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol?
The IUPAC name of 1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol (CID 67465874) is 1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol.
What is the SMILES notation for 1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol?
The canonical SMILES for 1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol is CC(O)C(Cl)N=Cc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol?
The InChIKey is SFWWMALDIPCQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-7(14)10(12)13-6-8-2-4-9(11)5-3-8/h2-7,10,14H,1H3.
What are the key properties of 1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol?
1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol has a molecular weight of 232.11 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol is sourced from PubChem (CID 67465874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).