4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzaldehyde

C17H18ClNO — CID 63535809

IUPAC4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzaldehyde
SMILESCc1cc(N(C)C(C)c2ccc(Cl)cc2)ccc1C=O
InChIInChI=1S/C17H18ClNO/c1-12-10-17(9-6-15(12)11-20)19(3)13(2)14-4-7-16(18)8-5-14/h4-11,13H,1-3H3
InChIKeyJAFVPNAWFOBPBO-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.66
Rot. Bonds4

About 4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzaldehyde

4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzaldehyde (PubChem CID 63535809) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzaldehyde
PubChem CID63535809
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzaldehyde
SMILESCc1cc(N(C)C(C)c2ccc(Cl)cc2)ccc1C=O
InChIInChI=1S/C17H18ClNO/c1-12-10-17(9-6-15(12)11-20)19(3)13(2)14-4-7-16(18)8-5-14/h4-11,13H,1-3H3
InChIKeyJAFVPNAWFOBPBO-UHFFFAOYSA-N
XLogP4.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.66
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

4-N,N-Bis(2-chloroethyl)amino-2-tolualdehyde
CID 141295
1-(4-Chlorophenyl)-3-(3,4-dimethylanilino)-1-propanone
CID 888422
4-(1,3-dihydro-2H-isoindol-2-yl)-2-methylbenzaldehyde
CID 807474
4-[Ethyl(phenylmethyl)amino]benzaldehyde
CID 282269
3-(Ethyl(4-formyl-3-methylphenyl)amino)propiononitrile
CID 67078
4-Dimethylamino-o-tolualdehyde
CID 70983
3-Chloro-4-(dipropylamino)benzaldehyde
CID 81145685
(4-chlorophenyl){4-[4-(dimethylamino)phenyl]-1-methyltetrahydro-1H-pyrrol-3-yl}methanone
CID 3695977
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(dimethylamino)benzamide
CID 11546868
4-chloro-N-(3,4-dimethylphenyl)benzamide
CID 720133
4-((2-Chloroethyl)ethylamino)-o-tolualdehyde
CID 66694
4-(Diethylamino)-2-methylbenzaldehyde
CID 66695

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzaldehyde?
The IUPAC name of 4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzaldehyde (CID 63535809) is 4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzaldehyde.
What is the SMILES notation for 4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzaldehyde?
The canonical SMILES for 4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzaldehyde is Cc1cc(N(C)C(C)c2ccc(Cl)cc2)ccc1C=O.
What is the InChIKey of 4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzaldehyde?
The InChIKey is JAFVPNAWFOBPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-12-10-17(9-6-15(12)11-20)19(3)13(2)14-4-7-16(18)8-5-14/h4-11,13H,1-3H3.
What are the key properties of 4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzaldehyde?
4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzaldehyde has a molecular weight of 287.79 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzaldehyde is sourced from PubChem (CID 63535809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).