2-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine

C12H19ClN2 — CID 63981395

IUPAC2-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine
SMILESCCC(C)(C)N(C)c1ccc(N)cc1Cl
InChIInChI=1S/C12H19ClN2/c1-5-12(2,3)15(4)11-7-6-9(14)8-10(11)13/h6-8H,5,14H2,1-4H3
InChIKeyJSUCVZPTSCIHNM-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.55
Rot. Bonds3

About 2-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine

2-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine (PubChem CID 63981395) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 2-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine
PubChem CID63981395
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name2-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine
SMILESCCC(C)(C)N(C)c1ccc(N)cc1Cl
InChIInChI=1S/C12H19ClN2/c1-5-12(2,3)15(4)11-7-6-9(14)8-10(11)13/h6-8H,5,14H2,1-4H3
InChIKeyJSUCVZPTSCIHNM-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 63982369
4-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 63982027
(1S)-1-[3-chloro-4-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 78955161
1-N-(2-aminoethyl)-2-chloro-1-N-methylbenzene-1,4-diamine
CID 82506047
4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 63981611
2-(2-aminoethyl)-3-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 63959947
2-chloro-1-N-methyl-1-N-pentylbenzene-1,4-diamine
CID 43294737
2-chloro-1-N-[2-(diethylamino)ethyl]-1-N-methylbenzene-1,4-diamine
CID 59691638
2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 81149934
2-N-(2-chloro-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131795
5-chloro-N'-hydroxy-2-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide
CID 77014178
2-chloro-1-N,1-N-bis(2-chloroethyl)benzene-1,4-diamine
CID 10778263

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine (CID 63981395) is 2-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine is CCC(C)(C)N(C)c1ccc(N)cc1Cl.
What is the InChIKey of 2-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine?
The InChIKey is JSUCVZPTSCIHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-5-12(2,3)15(4)11-7-6-9(14)8-10(11)13/h6-8H,5,14H2,1-4H3.
What are the key properties of 2-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine?
2-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine has a molecular weight of 226.75 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 63981395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).