1-(2-chloro-4-methylphenyl)-N,N-dimethylethenamine

C11H14ClN — CID 167033688

IUPAC1-(2-chloro-4-methylphenyl)-N,N-dimethylethenamine
SMILESC=C(c1ccc(C)cc1Cl)N(C)C
InChIInChI=1S/C11H14ClN/c1-8-5-6-10(11(12)7-8)9(2)13(3)4/h5-7H,2H2,1,3-4H3
InChIKeyGFGGZMJNBLLMQG-UHFFFAOYSA-N
MW195.69 g/mol
LogP3.18
Rot. Bonds2

About 1-(2-chloro-4-methylphenyl)-N,N-dimethylethenamine

1-(2-chloro-4-methylphenyl)-N,N-dimethylethenamine (PubChem CID 167033688) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N,N-dimethylethenamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N,N-dimethylethenamine
PubChem CID167033688
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name1-(2-chloro-4-methylphenyl)-N,N-dimethylethenamine
SMILESC=C(c1ccc(C)cc1Cl)N(C)C
InChIInChI=1S/C11H14ClN/c1-8-5-6-10(11(12)7-8)9(2)13(3)4/h5-7H,2H2,1,3-4H3
InChIKeyGFGGZMJNBLLMQG-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)ethenamine
CID 142112341
1-but-1-en-2-yl-2-chloro-4-methylbenzene;ethane;pentane
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1-(2-chloro-4-methylphenyl)propan-1-one
CID 103689347
2-chloro-N,N,4-trimethylaniline
CID 4099980
2-chloro-N,4-dimethylbenzamide;ethane
CID 143942674
fluoro 2-chloro-4-methylbenzoate
CID 175270708
2-chloro-N,4-dimethyl-N-prop-2-ynylbenzamide
CID 106509982
1-(2-chloro-4-methylphenyl)-1,3,3-trimethylurea
CID 154159072
(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 106864991
1-(2-chloro-4-methylphenyl)butan-1-one
CID 13175615
methyl 2-[(2-chloro-4-methylbenzoyl)-methylamino]acetate
CID 106509702
1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N,N-dimethylethenamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N,N-dimethylethenamine (CID 167033688) is 1-(2-chloro-4-methylphenyl)-N,N-dimethylethenamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N,N-dimethylethenamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N,N-dimethylethenamine is C=C(c1ccc(C)cc1Cl)N(C)C.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N,N-dimethylethenamine?
The InChIKey is GFGGZMJNBLLMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-8-5-6-10(11(12)7-8)9(2)13(3)4/h5-7H,2H2,1,3-4H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-N,N-dimethylethenamine?
1-(2-chloro-4-methylphenyl)-N,N-dimethylethenamine has a molecular weight of 195.69 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-N,N-dimethylethenamine is sourced from PubChem (CID 167033688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).