2-chloro-4-methyl-N-propan-2-ylaniline

C10H14ClN — CID 28876969

IUPAC2-chloro-4-methyl-N-propan-2-ylaniline
SMILESCc1ccc(NC(C)C)c(Cl)c1
InChIInChI=1S/C10H14ClN/c1-7(2)12-10-5-4-8(3)6-9(10)11/h4-7,12H,1-3H3
InChIKeyWKYHSVGIBOXGOM-UHFFFAOYSA-N
MW183.68 g/mol
LogP3.47
Rot. Bonds2

About 2-chloro-4-methyl-N-propan-2-ylaniline

2-chloro-4-methyl-N-propan-2-ylaniline (PubChem CID 28876969) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-chloro-4-methyl-N-propan-2-ylaniline
PubChem CID28876969
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name2-chloro-4-methyl-N-propan-2-ylaniline
SMILESCc1ccc(NC(C)C)c(Cl)c1
InChIInChI=1S/C10H14ClN/c1-7(2)12-10-5-4-8(3)6-9(10)11/h4-7,12H,1-3H3
InChIKeyWKYHSVGIBOXGOM-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-chloro-N-propan-2-ylaniline
CID 43236856
N-butan-2-yl-2-chloro-4-methylaniline
CID 43122565
2-chloro-4-methyl-N-pentan-3-ylaniline
CID 28967739
4-tert-butyl-2-chloro-N-propan-2-ylaniline
CID 135235361
2-(2-chloro-4-methylanilino)-N-methylpropanamide
CID 43085457
N-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline
CID 43122562
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline
CID 43772675
3-(2-chloro-4-methylanilino)-N-methylbutanamide
CID 115929890
methyl 3-(2-chloro-4-methylanilino)butanoate
CID 43536831
2-methoxy-4-methyl-N-propan-2-ylaniline
CID 59391426
2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide
CID 43083917
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-chloro-4-methylaniline
CID 82963042

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-propan-2-ylaniline?
The IUPAC name of 2-chloro-4-methyl-N-propan-2-ylaniline (CID 28876969) is 2-chloro-4-methyl-N-propan-2-ylaniline.
What is the SMILES notation for 2-chloro-4-methyl-N-propan-2-ylaniline?
The canonical SMILES for 2-chloro-4-methyl-N-propan-2-ylaniline is Cc1ccc(NC(C)C)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-propan-2-ylaniline?
The InChIKey is WKYHSVGIBOXGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-7(2)12-10-5-4-8(3)6-9(10)11/h4-7,12H,1-3H3.
What are the key properties of 2-chloro-4-methyl-N-propan-2-ylaniline?
2-chloro-4-methyl-N-propan-2-ylaniline has a molecular weight of 183.68 g/mol, XLogP of 3.47, 2 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-propan-2-ylaniline is sourced from PubChem (CID 28876969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).