2-chloro-N-(2-ethylbutyl)aniline

C12H18ClN — CID 29278221

IUPAC2-chloro-N-(2-ethylbutyl)aniline
SMILESCCC(CC)CNc1ccccc1Cl
InChIInChI=1S/C12H18ClN/c1-3-10(4-2)9-14-12-8-6-5-7-11(12)13/h5-8,10,14H,3-4,9H2,1-2H3
InChIKeyJFJKXPIBVOVASP-UHFFFAOYSA-N
MW211.74 g/mol
LogP4.19
Rot. Bonds5

About 2-chloro-N-(2-ethylbutyl)aniline

2-chloro-N-(2-ethylbutyl)aniline (PubChem CID 29278221) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylbutyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(2-ethylbutyl)aniline
PubChem CID29278221
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name2-chloro-N-(2-ethylbutyl)aniline
SMILESCCC(CC)CNc1ccccc1Cl
InChIInChI=1S/C12H18ClN/c1-3-10(4-2)9-14-12-8-6-5-7-11(12)13/h5-8,10,14H,3-4,9H2,1-2H3
InChIKeyJFJKXPIBVOVASP-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2,4-dichloro-N-(2-ethylbutyl)aniline
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2-chloro-N-[2-(3-methylphenoxy)butyl]aniline
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1-(2-chloroanilino)-3-fluoropropan-2-ol
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1-(2-chloroanilino)-3-methoxypropan-2-ol
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3-(2-chloroanilino)-2-methylpropanethioamide
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2-amino-3-(2-chloroanilino)propan-1-ol
CID 67271786
N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 29300715
N'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine
CID 55195116
N-(2-ethylbutyl)-2-prop-2-enylsulfanylaniline
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylbutyl)aniline?
The IUPAC name of 2-chloro-N-(2-ethylbutyl)aniline (CID 29278221) is 2-chloro-N-(2-ethylbutyl)aniline.
What is the SMILES notation for 2-chloro-N-(2-ethylbutyl)aniline?
The canonical SMILES for 2-chloro-N-(2-ethylbutyl)aniline is CCC(CC)CNc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-ethylbutyl)aniline?
The InChIKey is JFJKXPIBVOVASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-3-10(4-2)9-14-12-8-6-5-7-11(12)13/h5-8,10,14H,3-4,9H2,1-2H3.
What are the key properties of 2-chloro-N-(2-ethylbutyl)aniline?
2-chloro-N-(2-ethylbutyl)aniline has a molecular weight of 211.74 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylbutyl)aniline is sourced from PubChem (CID 29278221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).