N-(4-bromo-2-ethylphenyl)-1-propan-2-ylpyrrolidin-3-amine

C15H23BrN2 — CID 81291729

IUPACN-(4-bromo-2-ethylphenyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCCc1cc(Br)ccc1NC1CCN(C(C)C)C1
InChIInChI=1S/C15H23BrN2/c1-4-12-9-13(16)5-6-15(12)17-14-7-8-18(10-14)11(2)3/h5-6,9,11,14,17H,4,7-8,10H2,1-3H3
InChIKeyHECJMNKWZAJVRV-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.91
Rot. Bonds4

About N-(4-bromo-2-ethylphenyl)-1-propan-2-ylpyrrolidin-3-amine

N-(4-bromo-2-ethylphenyl)-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 81291729) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-1-propan-2-ylpyrrolidin-3-amine
PubChem CID81291729
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC NameN-(4-bromo-2-ethylphenyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCCc1cc(Br)ccc1NC1CCN(C(C)C)C1
InChIInChI=1S/C15H23BrN2/c1-4-12-9-13(16)5-6-15(12)17-14-7-8-18(10-14)11(2)3/h5-6,9,11,14,17H,4,7-8,10H2,1-3H3
InChIKeyHECJMNKWZAJVRV-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-cyclopentyl-2-ethylaniline
CID 81292169
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N-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 82761403
N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
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N-(4-bromo-2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43222294
N-(4-bromo-2-ethylphenyl)-1,1-dioxothiolan-3-amine
CID 81292372
N-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine
CID 65074191
N-(4-bromo-2-ethylphenyl)-4-ethylcycloheptan-1-amine
CID 81292619
N-(4-bromo-2-nitrophenyl)-1-propan-2-ylazepan-4-amine
CID 65073262
4-bromo-N-(2,2-dimethylcyclopentyl)-2-ethylaniline
CID 81292278
N-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-1-propan-2-ylpyrrolidin-3-amine
CID 133284331

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-1-propan-2-ylpyrrolidin-3-amine (CID 81291729) is N-(4-bromo-2-ethylphenyl)-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-1-propan-2-ylpyrrolidin-3-amine is CCc1cc(Br)ccc1NC1CCN(C(C)C)C1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is HECJMNKWZAJVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-4-12-9-13(16)5-6-15(12)17-14-7-8-18(10-14)11(2)3/h5-6,9,11,14,17H,4,7-8,10H2,1-3H3.
What are the key properties of N-(4-bromo-2-ethylphenyl)-1-propan-2-ylpyrrolidin-3-amine?
N-(4-bromo-2-ethylphenyl)-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 311.27 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 81291729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).