4-bromo-N-(1-cyclopropylethyl)aniline

C11H14BrN — CID 43194534

IUPAC4-bromo-N-(1-cyclopropylethyl)aniline
SMILESCC(Nc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C11H14BrN/c1-8(9-2-3-9)13-11-6-4-10(12)5-7-11/h4-9,13H,2-3H2,1H3
InChIKeyOUYDUIJPMUQUEF-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.66
Rot. Bonds3

About 4-bromo-N-(1-cyclopropylethyl)aniline

4-bromo-N-(1-cyclopropylethyl)aniline (PubChem CID 43194534) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 4-bromo-N-(1-cyclopropylethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(1-cyclopropylethyl)aniline
PubChem CID43194534
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name4-bromo-N-(1-cyclopropylethyl)aniline
SMILESCC(Nc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C11H14BrN/c1-8(9-2-3-9)13-11-6-4-10(12)5-7-11/h4-9,13H,2-3H2,1H3
InChIKeyOUYDUIJPMUQUEF-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 103529167
N-(1-cyclobutylethyl)aniline
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3,4-dichloro-N-(1-cyclopropylethyl)aniline
CID 43110972
2-[4-(1-cyclopropylethylamino)phenyl]-2-methylpropanenitrile
CID 43674409
4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746274
4-bromo-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422798
3-bromo-N-(1-cyclohexylethyl)-4-methylaniline
CID 55192209
N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline
CID 101388874
4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816866
3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline
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N-(1-cyclopropylethyl)-6-propan-2-yloxypyridin-3-amine
CID 115922171

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-cyclopropylethyl)aniline?
The IUPAC name of 4-bromo-N-(1-cyclopropylethyl)aniline (CID 43194534) is 4-bromo-N-(1-cyclopropylethyl)aniline.
What is the SMILES notation for 4-bromo-N-(1-cyclopropylethyl)aniline?
The canonical SMILES for 4-bromo-N-(1-cyclopropylethyl)aniline is CC(Nc1ccc(Br)cc1)C1CC1.
What is the InChIKey of 4-bromo-N-(1-cyclopropylethyl)aniline?
The InChIKey is OUYDUIJPMUQUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-8(9-2-3-9)13-11-6-4-10(12)5-7-11/h4-9,13H,2-3H2,1H3.
What are the key properties of 4-bromo-N-(1-cyclopropylethyl)aniline?
4-bromo-N-(1-cyclopropylethyl)aniline has a molecular weight of 240.14 g/mol, XLogP of 3.66, 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-cyclopropylethyl)aniline is sourced from PubChem (CID 43194534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).