N-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine

C15H23BrN2 — CID 28657866

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESC[C@@H](NCCCN1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2/c1-13(14-5-7-15(16)8-6-14)17-9-4-12-18-10-2-3-11-18/h5-8,13,17H,2-4,9-12H2,1H3/t13-/m1/s1
InChIKeyREONTDXYVADSCN-CYBMUJFWSA-N
MW311.27 g/mol
LogP3.59
Rot. Bonds6

About N-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine

N-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 28657866) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID28657866
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESC[C@@H](NCCCN1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2/c1-13(14-5-7-15(16)8-6-14)17-9-4-12-18-10-2-3-11-18/h5-8,13,17H,2-4,9-12H2,1H3/t13-/m1/s1
InChIKeyREONTDXYVADSCN-CYBMUJFWSA-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-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204957
N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 43203851
N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203840
N-[4-[1-(3-pyrrolidin-1-ylpropylamino)ethyl]phenyl]ethanesulfonamide
CID 119033190
3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62091363
1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729373
3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43205019
N-[1-(3-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203896
N-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43768298
N-[2-(azepan-1-yl)ethyl]-1-(4-ethylphenyl)ethanamine
CID 61239798
3-(4-methylpiperazin-1-yl)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 43106395
N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine
CID 113287271

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 28657866) is N-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine is C[C@@H](NCCCN1CCCC1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is REONTDXYVADSCN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-13(14-5-7-15(16)8-6-14)17-9-4-12-18-10-2-3-11-18/h5-8,13,17H,2-4,9-12H2,1H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
N-[(1R)-1-(4-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-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 28657866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).