4-bromo-N-(1-cyclopentylethyl)-2-methylaniline

C14H20BrN — CID 63418980

IUPAC4-bromo-N-(1-cyclopentylethyl)-2-methylaniline
SMILESCc1cc(Br)ccc1NC(C)C1CCCC1
InChIInChI=1S/C14H20BrN/c1-10-9-13(15)7-8-14(10)16-11(2)12-5-3-4-6-12/h7-9,11-12,16H,3-6H2,1-2H3
InChIKeyMLYLLDUKHICJIP-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.75
Rot. Bonds3

About 4-bromo-N-(1-cyclopentylethyl)-2-methylaniline

4-bromo-N-(1-cyclopentylethyl)-2-methylaniline (PubChem CID 63418980) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 4-bromo-N-(1-cyclopentylethyl)-2-methylaniline.

Molecular Properties

Compound Name4-bromo-N-(1-cyclopentylethyl)-2-methylaniline
PubChem CID63418980
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name4-bromo-N-(1-cyclopentylethyl)-2-methylaniline
SMILESCc1cc(Br)ccc1NC(C)C1CCCC1
InChIInChI=1S/C14H20BrN/c1-10-9-13(15)7-8-14(10)16-11(2)12-5-3-4-6-12/h7-9,11-12,16H,3-6H2,1-2H3
InChIKeyMLYLLDUKHICJIP-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclohexylethyl)-2,4-dimethylaniline
CID 43755727
2,5-dibromo-N-(1-cyclohexylethyl)aniline
CID 43789277
5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline
CID 63424276
N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline
CID 63451061
4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43791142
N-(1-cyclopentylethyl)-2-methyl-4-nitroaniline
CID 62632277
4-bromo-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447762
methyl 4-(1-cyclopentylethylamino)-3-methylbenzoate
CID 63445570
2-bromo-N-(1-cyclohexylethyl)-5-methylaniline
CID 82762032
4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746274
1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980955
3-bromo-N-(1-cyclohexylethyl)-4-methylaniline
CID 55192209

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-cyclopentylethyl)-2-methylaniline?
The IUPAC name of 4-bromo-N-(1-cyclopentylethyl)-2-methylaniline (CID 63418980) is 4-bromo-N-(1-cyclopentylethyl)-2-methylaniline.
What is the SMILES notation for 4-bromo-N-(1-cyclopentylethyl)-2-methylaniline?
The canonical SMILES for 4-bromo-N-(1-cyclopentylethyl)-2-methylaniline is Cc1cc(Br)ccc1NC(C)C1CCCC1.
What is the InChIKey of 4-bromo-N-(1-cyclopentylethyl)-2-methylaniline?
The InChIKey is MLYLLDUKHICJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-10-9-13(15)7-8-14(10)16-11(2)12-5-3-4-6-12/h7-9,11-12,16H,3-6H2,1-2H3.
What are the key properties of 4-bromo-N-(1-cyclopentylethyl)-2-methylaniline?
4-bromo-N-(1-cyclopentylethyl)-2-methylaniline has a molecular weight of 282.22 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-cyclopentylethyl)-2-methylaniline is sourced from PubChem (CID 63418980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).