4-chloro-2-methyl-N-(2-methylbutyl)aniline

C12H18ClN — CID 43093539

IUPAC4-chloro-2-methyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CNc1ccc(Cl)cc1C
InChIInChI=1S/C12H18ClN/c1-4-9(2)8-14-12-6-5-11(13)7-10(12)3/h5-7,9,14H,4,8H2,1-3H3
InChIKeyQAGLNCXMYLXFFW-UHFFFAOYSA-N
MW211.74 g/mol
LogP4.11
Rot. Bonds4

About 4-chloro-2-methyl-N-(2-methylbutyl)aniline

4-chloro-2-methyl-N-(2-methylbutyl)aniline (PubChem CID 43093539) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name4-chloro-2-methyl-N-(2-methylbutyl)aniline
PubChem CID43093539
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name4-chloro-2-methyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CNc1ccc(Cl)cc1C
InChIInChI=1S/C12H18ClN/c1-4-9(2)8-14-12-6-5-11(13)7-10(12)3/h5-7,9,14H,4,8H2,1-3H3
InChIKeyQAGLNCXMYLXFFW-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-(3-methoxy-2-methylpropyl)-2-methylaniline
CID 116500771
3-(4-chloro-2-methylanilino)-1,1,1-trifluoropropan-2-ol
CID 126846999
2-methyl-N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline
CID 43682373
1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol
CID 114255834
2-bromo-4-methyl-N-(2-methylbutyl)aniline
CID 43111742
5-chloro-2-fluoro-N-(2-methylpentyl)aniline
CID 43438253
N-[2-(2,4-dichlorophenoxy)propyl]-2,4-dimethylaniline
CID 23963536
3-(2,4-dimethylanilino)-2-methylpropan-1-ol
CID 115871838
2,4-dichloro-N-(2-ethylbutyl)aniline
CID 28521288
2-chloro-N-(2-methylbutyl)-4-(trifluoromethyl)aniline
CID 43714527
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
CID 114075335
N'-butan-2-yl-N-(5-chloro-2-methylphenyl)ethane-1,2-diamine
CID 54808537

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-(2-methylbutyl)aniline?
The IUPAC name of 4-chloro-2-methyl-N-(2-methylbutyl)aniline (CID 43093539) is 4-chloro-2-methyl-N-(2-methylbutyl)aniline.
What is the SMILES notation for 4-chloro-2-methyl-N-(2-methylbutyl)aniline?
The canonical SMILES for 4-chloro-2-methyl-N-(2-methylbutyl)aniline is CCC(C)CNc1ccc(Cl)cc1C.
What is the InChIKey of 4-chloro-2-methyl-N-(2-methylbutyl)aniline?
The InChIKey is QAGLNCXMYLXFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-4-9(2)8-14-12-6-5-11(13)7-10(12)3/h5-7,9,14H,4,8H2,1-3H3.
What are the key properties of 4-chloro-2-methyl-N-(2-methylbutyl)aniline?
4-chloro-2-methyl-N-(2-methylbutyl)aniline has a molecular weight of 211.74 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-(2-methylbutyl)aniline is sourced from PubChem (CID 43093539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).