2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde

C15H14ClNO — CID 61415174

IUPAC2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde
SMILESCN(Cc1ccc(Cl)cc1)c1ccccc1C=O
InChIInChI=1S/C15H14ClNO/c1-17(10-12-6-8-14(16)9-7-12)15-5-3-2-4-13(15)11-18/h2-9,11H,10H2,1H3
InChIKeyVECOMATYKCWYHJ-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.79
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde

2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde (PubChem CID 61415174) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde
PubChem CID61415174
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde
SMILESCN(Cc1ccc(Cl)cc1)c1ccccc1C=O
InChIInChI=1S/C15H14ClNO/c1-17(10-12-6-8-14(16)9-7-12)15-5-3-2-4-13(15)11-18/h2-9,11H,10H2,1H3
InChIKeyVECOMATYKCWYHJ-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[(4-methoxyphenyl)methyl-methylamino]benzaldehyde
CID 114844036
2-(chloromethyl)-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 63540989
2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzaldehyde
CID 61442333
2-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 78934580
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzaldehyde
CID 61442479
N-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline
CID 63552832
4-chloro-2-[methyl(thiophen-3-ylmethyl)amino]benzaldehyde
CID 114843956
N-[(4-chlorophenyl)methyl]-N-(2-hydroxyphenyl)formamide
CID 135035742
5-chloro-2-[(4-chlorophenyl)methyl-methylamino]benzoic acid
CID 63513125
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
N-[(4-chlorophenyl)methyl]-N,2-dimethyl-5-phenylthiophen-3-amine
CID 142192555
2-[(4-bromothiophen-2-yl)methyl-methylamino]-5-chlorobenzaldehyde
CID 114844120

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde (CID 61415174) is 2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde is CN(Cc1ccc(Cl)cc1)c1ccccc1C=O.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde?
The InChIKey is VECOMATYKCWYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-17(10-12-6-8-14(16)9-7-12)15-5-3-2-4-13(15)11-18/h2-9,11H,10H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde?
2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde has a molecular weight of 259.74 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde is sourced from PubChem (CID 61415174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).