N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine

C15H23BrN2 — CID 43203840

IUPACN-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(NCCCN1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2/c1-13(14-6-4-7-15(16)12-14)17-8-5-11-18-9-2-3-10-18/h4,6-7,12-13,17H,2-3,5,8-11H2,1H3
InChIKeyGQBYUZPPSBTKCI-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.59
Rot. Bonds6

About N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine

N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 43203840) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID43203840
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC NameN-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(NCCCN1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2/c1-13(14-6-4-7-15(16)12-14)17-8-5-11-18-9-2-3-10-18/h4,6-7,12-13,17H,2-3,5,8-11H2,1H3
InChIKeyGQBYUZPPSBTKCI-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203896
N-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657866
N-[1-(3-bromophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43193187
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657976
N-[1-(3-bromophenyl)ethyl]butan-1-amine
CID 43192396
N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 43203851
N-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749141
4-[1-(3-bromophenyl)ethylamino]butanenitrile
CID 61021299
N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine
CID 28673434
(2S)-4-[[(1S)-1-(3-bromophenyl)ethyl]amino]butan-2-ol
CID 96784164
N-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine
CID 61493819
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 43203840) is N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine is CC(NCCCN1CCCC1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is GQBYUZPPSBTKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-13(14-6-4-7-15(16)12-14)17-8-5-11-18-9-2-3-10-18/h4,6-7,12-13,17H,2-3,5,8-11H2,1H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 311.27 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 43203840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).