5-chloro-N,2-dimethyl-N-prop-1-en-2-ylaniline

C11H14ClN — CID 155402625

IUPAC5-chloro-N,2-dimethyl-N-prop-1-en-2-ylaniline
SMILESC=C(C)N(C)c1cc(Cl)ccc1C
InChIInChI=1S/C11H14ClN/c1-8(2)13(4)11-7-10(12)6-5-9(11)3/h5-7H,1H2,2-4H3
InChIKeyHYKWQMCXXHSVRG-UHFFFAOYSA-N
MW195.69 g/mol
LogP3.62
Rot. Bonds2

About 5-chloro-N,2-dimethyl-N-prop-1-en-2-ylaniline

5-chloro-N,2-dimethyl-N-prop-1-en-2-ylaniline (PubChem CID 155402625) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 5-chloro-N,2-dimethyl-N-prop-1-en-2-ylaniline.

Molecular Properties

Compound Name5-chloro-N,2-dimethyl-N-prop-1-en-2-ylaniline
PubChem CID155402625
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name5-chloro-N,2-dimethyl-N-prop-1-en-2-ylaniline
SMILESC=C(C)N(C)c1cc(Cl)ccc1C
InChIInChI=1S/C11H14ClN/c1-8(2)13(4)11-7-10(12)6-5-9(11)3/h5-7H,1H2,2-4H3
InChIKeyHYKWQMCXXHSVRG-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide
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N'-(5-chloro-2-methylphenyl)-N'-methylpropane-1,3-diamine
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tert-butyl N-(5-chloro-2-methylphenyl)-N-(2-methylprop-2-enyl)carbamate;ethane
CID 144619806
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N-(2-amino-5-chlorophenyl)-N-methylacetamide
CID 107465702
acetyl chloride;4-chloro-1,2-dimethylbenzene
CID 174808009
4-chloro-N,N,2-trimethylaniline;ethane
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1-N-(5-chloro-2-methylphenyl)-1-N,3-dimethylbutane-1,3-diamine
CID 117028791
N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
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2-[(5-chloro-2-methylbenzoyl)-methylamino]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,2-dimethyl-N-prop-1-en-2-ylaniline?
The IUPAC name of 5-chloro-N,2-dimethyl-N-prop-1-en-2-ylaniline (CID 155402625) is 5-chloro-N,2-dimethyl-N-prop-1-en-2-ylaniline.
What is the SMILES notation for 5-chloro-N,2-dimethyl-N-prop-1-en-2-ylaniline?
The canonical SMILES for 5-chloro-N,2-dimethyl-N-prop-1-en-2-ylaniline is C=C(C)N(C)c1cc(Cl)ccc1C.
What is the InChIKey of 5-chloro-N,2-dimethyl-N-prop-1-en-2-ylaniline?
The InChIKey is HYKWQMCXXHSVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-8(2)13(4)11-7-10(12)6-5-9(11)3/h5-7H,1H2,2-4H3.
What are the key properties of 5-chloro-N,2-dimethyl-N-prop-1-en-2-ylaniline?
5-chloro-N,2-dimethyl-N-prop-1-en-2-ylaniline has a molecular weight of 195.69 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,2-dimethyl-N-prop-1-en-2-ylaniline is sourced from PubChem (CID 155402625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).