3-chloro-N-(2-methylpentyl)aniline

C12H18ClN — CID 43105827

IUPAC3-chloro-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1cccc(Cl)c1
InChIInChI=1S/C12H18ClN/c1-3-5-10(2)9-14-12-7-4-6-11(13)8-12/h4,6-8,10,14H,3,5,9H2,1-2H3
InChIKeyZSDSTILYYIEMFR-UHFFFAOYSA-N
MW211.74 g/mol
LogP4.19
Rot. Bonds5

About 3-chloro-N-(2-methylpentyl)aniline

3-chloro-N-(2-methylpentyl)aniline (PubChem CID 43105827) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 3-chloro-N-(2-methylpentyl)aniline.

Molecular Properties

Compound Name3-chloro-N-(2-methylpentyl)aniline
PubChem CID43105827
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name3-chloro-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1cccc(Cl)c1
InChIInChI=1S/C12H18ClN/c1-3-5-10(2)9-14-12-7-4-6-11(13)8-12/h4,6-8,10,14H,3,5,9H2,1-2H3
InChIKeyZSDSTILYYIEMFR-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

3-methyl-N-(2-methylpentyl)aniline
CID 43103474
3-iodo-N-(2-methylpentyl)aniline
CID 43124492
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835
1-N-(3-chlorophenyl)butane-1,2-diamine
CID 83944476
5-chloro-2-fluoro-N-(2-methylpentyl)aniline
CID 43438253
N-ethyl-3-(2-methylpentylamino)benzamide
CID 43680679
N-(2-methylpentyl)-4-propan-2-ylaniline
CID 43103738
1-(3-chloroanilino)butan-1-ol
CID 143119742
2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897560
N-tert-butyl-2-(3-chlorophenyl)-4-methylheptan-1-amine
CID 79443032
2,4,6-trichloro-N-(2-methylpentyl)aniline
CID 43126426
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylpentyl)aniline?
The IUPAC name of 3-chloro-N-(2-methylpentyl)aniline (CID 43105827) is 3-chloro-N-(2-methylpentyl)aniline.
What is the SMILES notation for 3-chloro-N-(2-methylpentyl)aniline?
The canonical SMILES for 3-chloro-N-(2-methylpentyl)aniline is CCCC(C)CNc1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-methylpentyl)aniline?
The InChIKey is ZSDSTILYYIEMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-3-5-10(2)9-14-12-7-4-6-11(13)8-12/h4,6-8,10,14H,3,5,9H2,1-2H3.
What are the key properties of 3-chloro-N-(2-methylpentyl)aniline?
3-chloro-N-(2-methylpentyl)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 3-chloro-N-(2-methylpentyl)aniline is sourced from PubChem (CID 43105827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).