4-chloro-N-[(3,4-dimethylphenyl)methyl]-N,3-dimethylaniline

C17H20ClN — CID 130280181

IUPAC4-chloro-N-[(3,4-dimethylphenyl)methyl]-N,3-dimethylaniline
SMILESCc1ccc(CN(C)c2ccc(Cl)c(C)c2)cc1C
InChIInChI=1S/C17H20ClN/c1-12-5-6-15(9-13(12)2)11-19(4)16-7-8-17(18)14(3)10-16/h5-10H,11H2,1-4H3
InChIKeyWHPZVUVBAKWPJS-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.90
Rot. Bonds3

About 4-chloro-N-[(3,4-dimethylphenyl)methyl]-N,3-dimethylaniline

4-chloro-N-[(3,4-dimethylphenyl)methyl]-N,3-dimethylaniline (PubChem CID 130280181) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 4-chloro-N-[(3,4-dimethylphenyl)methyl]-N,3-dimethylaniline.

Molecular Properties

Compound Name4-chloro-N-[(3,4-dimethylphenyl)methyl]-N,3-dimethylaniline
PubChem CID130280181
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name4-chloro-N-[(3,4-dimethylphenyl)methyl]-N,3-dimethylaniline
SMILESCc1ccc(CN(C)c2ccc(Cl)c(C)c2)cc1C
InChIInChI=1S/C17H20ClN/c1-12-5-6-15(9-13(12)2)11-19(4)16-7-8-17(18)14(3)10-16/h5-10H,11H2,1-4H3
InChIKeyWHPZVUVBAKWPJS-UHFFFAOYSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline
CID 63785395
N-(bromomethyl)-N,3,4-trimethylaniline
CID 115261662
1-chloro-4-(chloromethyl)-2-methylbenzene
CID 524342
1-chloro-4-(fluoromethyl)-2-methylbenzene
CID 67488160
1-chloro-4-ethyl-2-methylbenzene;ethane
CID 142121320
dichloro-bis[(3,4-dimethylphenyl)methyl]stannane
CID 71373322
5-[(N,3,4-trimethylanilino)methyl]-1,2-oxazol-3-amine
CID 117038852
N'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane
CID 144693045
1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine
CID 55130362
5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline
CID 62003419
N-[(3,4-dimethylphenyl)methyl]-N,3,4,5-tetramethylthiophen-2-amine
CID 54420637
1-chloro-4-(2-chloroethyl)-2-methylbenzene
CID 95405218

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,4-dimethylphenyl)methyl]-N,3-dimethylaniline?
The IUPAC name of 4-chloro-N-[(3,4-dimethylphenyl)methyl]-N,3-dimethylaniline (CID 130280181) is 4-chloro-N-[(3,4-dimethylphenyl)methyl]-N,3-dimethylaniline.
What is the SMILES notation for 4-chloro-N-[(3,4-dimethylphenyl)methyl]-N,3-dimethylaniline?
The canonical SMILES for 4-chloro-N-[(3,4-dimethylphenyl)methyl]-N,3-dimethylaniline is Cc1ccc(CN(C)c2ccc(Cl)c(C)c2)cc1C.
What is the InChIKey of 4-chloro-N-[(3,4-dimethylphenyl)methyl]-N,3-dimethylaniline?
The InChIKey is WHPZVUVBAKWPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-12-5-6-15(9-13(12)2)11-19(4)16-7-8-17(18)14(3)10-16/h5-10H,11H2,1-4H3.
What are the key properties of 4-chloro-N-[(3,4-dimethylphenyl)methyl]-N,3-dimethylaniline?
4-chloro-N-[(3,4-dimethylphenyl)methyl]-N,3-dimethylaniline has a molecular weight of 273.81 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3,4-dimethylphenyl)methyl]-N,3-dimethylaniline is sourced from PubChem (CID 130280181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).