3-chloro-1-N-(2-ethylbutyl)-2-N,2-N-dimethylbenzene-1,2-diamine

C14H23ClN2 — CID 43739756

IUPAC3-chloro-1-N-(2-ethylbutyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCCC(CC)CNc1cccc(Cl)c1N(C)C
InChIInChI=1S/C14H23ClN2/c1-5-11(6-2)10-16-13-9-7-8-12(15)14(13)17(3)4/h7-9,11,16H,5-6,10H2,1-4H3
InChIKeyDQAXCQMTMSLWCH-UHFFFAOYSA-N
MW254.81 g/mol
LogP4.25
Rot. Bonds6

About 3-chloro-1-N-(2-ethylbutyl)-2-N,2-N-dimethylbenzene-1,2-diamine

3-chloro-1-N-(2-ethylbutyl)-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 43739756) has the molecular formula C14H23ClN2 and a molecular weight of 254.81 g/mol. Its IUPAC name is 3-chloro-1-N-(2-ethylbutyl)-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-(2-ethylbutyl)-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID43739756
Molecular FormulaC14H23ClN2
Molecular Weight254.81 g/mol
Exact Mass254.15
IUPAC Name3-chloro-1-N-(2-ethylbutyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCCC(CC)CNc1cccc(Cl)c1N(C)C
InChIInChI=1S/C14H23ClN2/c1-5-11(6-2)10-16-13-9-7-8-12(15)14(13)17(3)4/h7-9,11,16H,5-6,10H2,1-4H3
InChIKeyDQAXCQMTMSLWCH-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.81
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(2-ethylbutyl)aniline
CID 29278221
3-chloro-1-N-(2,2-dimethylpropyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 61326393
3-chloro-2-N,2-N-dimethyl-1-N-pentylbenzene-1,2-diamine
CID 43739667
3-chloro-2-N,2-N-dimethyl-1-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 43739761
3-chloro-2-N,2-N-dimethyl-1-N-(3-methylsulfanylpropyl)benzene-1,2-diamine
CID 43739685
3-chloro-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 43739721
(2S,3S)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methylpentanamide
CID 61154949
3-chloro-1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43739717
3-chloro-1-N-(cyclohexylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43739757
3-chloro-2-N,2-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 43739781
3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 43739755
N-(2-ethylbutyl)-2-methylaniline
CID 29290197

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-(2-ethylbutyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-(2-ethylbutyl)-2-N,2-N-dimethylbenzene-1,2-diamine (CID 43739756) is 3-chloro-1-N-(2-ethylbutyl)-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-(2-ethylbutyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-(2-ethylbutyl)-2-N,2-N-dimethylbenzene-1,2-diamine is CCC(CC)CNc1cccc(Cl)c1N(C)C.
What is the InChIKey of 3-chloro-1-N-(2-ethylbutyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is DQAXCQMTMSLWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-5-11(6-2)10-16-13-9-7-8-12(15)14(13)17(3)4/h7-9,11,16H,5-6,10H2,1-4H3.
What are the key properties of 3-chloro-1-N-(2-ethylbutyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
3-chloro-1-N-(2-ethylbutyl)-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 254.81 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-(2-ethylbutyl)-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 43739756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).