2-bromo-5-chloro-N-(2-cyclopentylethyl)-4-methylaniline

C14H19BrClN — CID 114191103

IUPAC2-bromo-5-chloro-N-(2-cyclopentylethyl)-4-methylaniline
SMILESCc1cc(Br)c(NCCC2CCCC2)cc1Cl
InChIInChI=1S/C14H19BrClN/c1-10-8-12(15)14(9-13(10)16)17-7-6-11-4-2-3-5-11/h8-9,11,17H,2-7H2,1H3
InChIKeyQDTFSOUMHLIUEY-UHFFFAOYSA-N
MW316.67 g/mol
LogP5.40
Rot. Bonds4

About 2-bromo-5-chloro-N-(2-cyclopentylethyl)-4-methylaniline

2-bromo-5-chloro-N-(2-cyclopentylethyl)-4-methylaniline (PubChem CID 114191103) has the molecular formula C14H19BrClN and a molecular weight of 316.67 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(2-cyclopentylethyl)-4-methylaniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(2-cyclopentylethyl)-4-methylaniline
PubChem CID114191103
Molecular FormulaC14H19BrClN
Molecular Weight316.67 g/mol
Exact Mass315.04
IUPAC Name2-bromo-5-chloro-N-(2-cyclopentylethyl)-4-methylaniline
SMILESCc1cc(Br)c(NCCC2CCCC2)cc1Cl
InChIInChI=1S/C14H19BrClN/c1-10-8-12(15)14(9-13(10)16)17-7-6-11-4-2-3-5-11/h8-9,11,17H,2-7H2,1H3
InChIKeyQDTFSOUMHLIUEY-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.67
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-(2-cyclohexylethyl)-4-fluoro-2-methylaniline
CID 107591544
2-bromo-5-chloro-4-methyl-N-(3-methylbutyl)aniline
CID 104722862
2-bromo-5-chloro-4-methyl-N-[2-(trifluoromethoxy)ethyl]aniline
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2-bromo-5-chloro-4-methyl-N-(2-propoxyethyl)aniline
CID 106452481
2-bromo-5-chloro-4-methyl-N-pent-4-ynylaniline
CID 104723520
2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 104723469
2-N-(2-cyclobutylethyl)-4,5-dimethylbenzene-1,2-diamine
CID 115126836
2-bromo-5-chloro-N-(2-methoxycyclohexyl)-4-methylaniline
CID 113445401
trans-(1R,2R)-2-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol
CID 102734035
2-bromo-5-chloro-N-[(2,3-dimethylphenyl)methyl]-4-methylaniline
CID 104723045
2-(2-bromo-5-chloro-4-methylanilino)-N-tert-butylacetamide
CID 113445483
2-chloro-5-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine
CID 114514975

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(2-cyclopentylethyl)-4-methylaniline?
The IUPAC name of 2-bromo-5-chloro-N-(2-cyclopentylethyl)-4-methylaniline (CID 114191103) is 2-bromo-5-chloro-N-(2-cyclopentylethyl)-4-methylaniline.
What is the SMILES notation for 2-bromo-5-chloro-N-(2-cyclopentylethyl)-4-methylaniline?
The canonical SMILES for 2-bromo-5-chloro-N-(2-cyclopentylethyl)-4-methylaniline is Cc1cc(Br)c(NCCC2CCCC2)cc1Cl.
What is the InChIKey of 2-bromo-5-chloro-N-(2-cyclopentylethyl)-4-methylaniline?
The InChIKey is QDTFSOUMHLIUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN/c1-10-8-12(15)14(9-13(10)16)17-7-6-11-4-2-3-5-11/h8-9,11,17H,2-7H2,1H3.
What are the key properties of 2-bromo-5-chloro-N-(2-cyclopentylethyl)-4-methylaniline?
2-bromo-5-chloro-N-(2-cyclopentylethyl)-4-methylaniline has a molecular weight of 316.67 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(2-cyclopentylethyl)-4-methylaniline is sourced from PubChem (CID 114191103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).