N-butan-2-yl-2-chloro-4-methylaniline

C11H16ClN — CID 43122565

IUPACN-butan-2-yl-2-chloro-4-methylaniline
SMILESCCC(C)Nc1ccc(C)cc1Cl
InChIInChI=1S/C11H16ClN/c1-4-9(3)13-11-6-5-8(2)7-10(11)12/h5-7,9,13H,4H2,1-3H3
InChIKeyJXGNLNRYLWVGRF-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.86
Rot. Bonds3

About N-butan-2-yl-2-chloro-4-methylaniline

N-butan-2-yl-2-chloro-4-methylaniline (PubChem CID 43122565) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is N-butan-2-yl-2-chloro-4-methylaniline.

Molecular Properties

Compound NameN-butan-2-yl-2-chloro-4-methylaniline
PubChem CID43122565
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC NameN-butan-2-yl-2-chloro-4-methylaniline
SMILESCCC(C)Nc1ccc(C)cc1Cl
InChIInChI=1S/C11H16ClN/c1-4-9(3)13-11-6-5-8(2)7-10(11)12/h5-7,9,13H,4H2,1-3H3
InChIKeyJXGNLNRYLWVGRF-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-methyl-N-pentan-3-ylaniline
CID 28967739
2-chloro-4-methyl-N-propan-2-ylaniline
CID 28876969
3-(2-chloro-4-methylanilino)-N-methylbutanamide
CID 115929890
methyl 3-(2-chloro-4-methylanilino)butanoate
CID 43536831
ethyl 2-(2-chloro-4-methylanilino)butanoate
CID 64667154
2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43122613
2-(2-chloro-4-methylanilino)-N-methylpropanamide
CID 43085457
N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide
CID 47142063
2-bromo-N-butan-2-yl-5-chloro-4-methylaniline
CID 104722467
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline
CID 43772675
2-chloro-4-iodo-N-pentan-2-ylaniline
CID 43733727
N-(2-chloro-4-methylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28967872

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-chloro-4-methylaniline?
The IUPAC name of N-butan-2-yl-2-chloro-4-methylaniline (CID 43122565) is N-butan-2-yl-2-chloro-4-methylaniline.
What is the SMILES notation for N-butan-2-yl-2-chloro-4-methylaniline?
The canonical SMILES for N-butan-2-yl-2-chloro-4-methylaniline is CCC(C)Nc1ccc(C)cc1Cl.
What is the InChIKey of N-butan-2-yl-2-chloro-4-methylaniline?
The InChIKey is JXGNLNRYLWVGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-4-9(3)13-11-6-5-8(2)7-10(11)12/h5-7,9,13H,4H2,1-3H3.
What are the key properties of N-butan-2-yl-2-chloro-4-methylaniline?
N-butan-2-yl-2-chloro-4-methylaniline has a molecular weight of 197.71 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-chloro-4-methylaniline is sourced from PubChem (CID 43122565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).