1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine

C15H23BrN2 — CID 63785737

IUPAC1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
SMILESCCC1CCCN1c1cc(Br)ccc1CC(C)N
InChIInChI=1S/C15H23BrN2/c1-3-14-5-4-8-18(14)15-10-13(16)7-6-12(15)9-11(2)17/h6-7,10-11,14H,3-5,8-9,17H2,1-2H3
InChIKeyQUCUNQUGGMZJLN-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.72
Rot. Bonds4

About 1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine

1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine (PubChem CID 63785737) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
PubChem CID63785737
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
SMILESCCC1CCCN1c1cc(Br)ccc1CC(C)N
InChIInChI=1S/C15H23BrN2/c1-3-14-5-4-8-18(14)15-10-13(16)7-6-12(15)9-11(2)17/h6-7,10-11,14H,3-5,8-9,17H2,1-2H3
InChIKeyQUCUNQUGGMZJLN-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-bromophenyl]propan-2-amine
CID 65322122
1-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]propan-2-amine
CID 55236414
1-[4-chloro-2-(2-ethylazepan-1-yl)phenyl]propan-2-amine
CID 114862216
N-[[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]methyl]propan-1-amine
CID 54885884
1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine
CID 55236984
1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787239
1-[4-bromo-2-(3-methylmorpholin-4-yl)phenyl]propan-2-amine
CID 55236797
4-bromo-2-(2-ethylpiperidin-1-yl)benzaldehyde
CID 43266612
1-[2-(2-aminopropyl)-5-bromophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63794895
[1-[5-bromo-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol
CID 61411184
(1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine
CID 63368268
2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline
CID 63785627

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine (CID 63785737) is 1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine is CCC1CCCN1c1cc(Br)ccc1CC(C)N.
What is the InChIKey of 1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine?
The InChIKey is QUCUNQUGGMZJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-3-14-5-4-8-18(14)15-10-13(16)7-6-12(15)9-11(2)17/h6-7,10-11,14H,3-5,8-9,17H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine?
1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine has a molecular weight of 311.27 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 63785737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).