1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine

C15H23BrN2 — CID 114061978

IUPAC1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
SMILESCCC1CCN(c2ccc(Br)cc2CC(C)N)C1
InChIInChI=1S/C15H23BrN2/c1-3-12-6-7-18(10-12)15-5-4-14(16)9-13(15)8-11(2)17/h4-5,9,11-12H,3,6-8,10,17H2,1-2H3
InChIKeyMHOIPCKXFGXQQT-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.58
Rot. Bonds4

About 1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine

1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine (PubChem CID 114061978) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
PubChem CID114061978
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
SMILESCCC1CCN(c2ccc(Br)cc2CC(C)N)C1
InChIInChI=1S/C15H23BrN2/c1-3-12-6-7-18(10-12)15-5-4-14(16)9-13(15)8-11(2)17/h4-5,9,11-12H,3,6-8,10,17H2,1-2H3
InChIKeyMHOIPCKXFGXQQT-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 114862200
1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine
CID 82972274
[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol
CID 114061365
1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride
CID 170894305
1-[2-(2-aminopropyl)-5-bromophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63794895
1-[2-(3-ethylpyrrolidin-1-yl)-3-fluorophenyl]propan-2-amine
CID 114070145
1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol
CID 114889778
1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromophenyl]propan-2-amine
CID 114061955
1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine
CID 107081123
1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 63785737
1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787239
1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine
CID 83981718

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine (CID 114061978) is 1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine is CCC1CCN(c2ccc(Br)cc2CC(C)N)C1.
What is the InChIKey of 1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine?
The InChIKey is MHOIPCKXFGXQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-3-12-6-7-18(10-12)15-5-4-14(16)9-13(15)8-11(2)17/h4-5,9,11-12H,3,6-8,10,17H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine?
1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine has a molecular weight of 311.27 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 114061978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).