2-chloro-4-methyl-N-pentan-3-ylaniline

C12H18ClN — CID 28967739

IUPAC2-chloro-4-methyl-N-pentan-3-ylaniline
SMILESCCC(CC)Nc1ccc(C)cc1Cl
InChIInChI=1S/C12H18ClN/c1-4-10(5-2)14-12-7-6-9(3)8-11(12)13/h6-8,10,14H,4-5H2,1-3H3
InChIKeyIITABALUVFHYCD-UHFFFAOYSA-N
MW211.74 g/mol
LogP4.25
Rot. Bonds4

About 2-chloro-4-methyl-N-pentan-3-ylaniline

2-chloro-4-methyl-N-pentan-3-ylaniline (PubChem CID 28967739) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-pentan-3-ylaniline.

Molecular Properties

Compound Name2-chloro-4-methyl-N-pentan-3-ylaniline
PubChem CID28967739
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name2-chloro-4-methyl-N-pentan-3-ylaniline
SMILESCCC(CC)Nc1ccc(C)cc1Cl
InChIInChI=1S/C12H18ClN/c1-4-10(5-2)14-12-7-6-9(3)8-11(12)13/h6-8,10,14H,4-5H2,1-3H3
InChIKeyIITABALUVFHYCD-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-butan-2-yl-2-chloro-4-methylaniline
CID 43122565
2-chloro-4-methyl-N-propan-2-ylaniline
CID 28876969
3-chloro-4-(pentan-3-ylamino)benzoic acid
CID 63087281
ethyl 2-(2-chloro-4-methylanilino)butanoate
CID 64667154
2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43122613
5-methyl-2-(pentan-3-ylamino)benzonitrile
CID 107926818
1-(2-chloro-4-methylphenyl)butan-2-ylhydrazine
CID 106868414
methyl 3-(2-chloro-4-methylanilino)butanoate
CID 43536831
3-(2-chloro-4-methylanilino)-N-methylbutanamide
CID 115929890
2-(2-chloro-4-methylanilino)-N-methylpropanamide
CID 43085457
2-chloro-4-methyl-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 43772671
2-chloro-4-iodo-N-(1-phenylbutan-2-yl)aniline
CID 79007429

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-pentan-3-ylaniline?
The IUPAC name of 2-chloro-4-methyl-N-pentan-3-ylaniline (CID 28967739) is 2-chloro-4-methyl-N-pentan-3-ylaniline.
What is the SMILES notation for 2-chloro-4-methyl-N-pentan-3-ylaniline?
The canonical SMILES for 2-chloro-4-methyl-N-pentan-3-ylaniline is CCC(CC)Nc1ccc(C)cc1Cl.
What is the InChIKey of 2-chloro-4-methyl-N-pentan-3-ylaniline?
The InChIKey is IITABALUVFHYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-4-10(5-2)14-12-7-6-9(3)8-11(12)13/h6-8,10,14H,4-5H2,1-3H3.
What are the key properties of 2-chloro-4-methyl-N-pentan-3-ylaniline?
2-chloro-4-methyl-N-pentan-3-ylaniline has a molecular weight of 211.74 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-pentan-3-ylaniline is sourced from PubChem (CID 28967739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).