1-(3-bromophenyl)-3-pyrrolidin-1-ylpropan-2-amine

C13H19BrN2 — CID 82307455

IUPAC1-(3-bromophenyl)-3-pyrrolidin-1-ylpropan-2-amine
SMILESNC(Cc1cccc(Br)c1)CN1CCCC1
InChIInChI=1S/C13H19BrN2/c14-12-5-3-4-11(8-12)9-13(15)10-16-6-1-2-7-16/h3-5,8,13H,1-2,6-7,9-10,15H2
InChIKeyZFRZGMODSCRHIW-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.41
Rot. Bonds4

About 1-(3-bromophenyl)-3-pyrrolidin-1-ylpropan-2-amine

1-(3-bromophenyl)-3-pyrrolidin-1-ylpropan-2-amine (PubChem CID 82307455) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-pyrrolidin-1-ylpropan-2-amine
PubChem CID82307455
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-(3-bromophenyl)-3-pyrrolidin-1-ylpropan-2-amine
SMILESNC(Cc1cccc(Br)c1)CN1CCCC1
InChIInChI=1S/C13H19BrN2/c14-12-5-3-4-11(8-12)9-13(15)10-16-6-1-2-7-16/h3-5,8,13H,1-2,6-7,9-10,15H2
InChIKeyZFRZGMODSCRHIW-UHFFFAOYSA-N
XLogP2.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 178200029
1-(3-bromophenyl)butan-2-amine;hydrochloride
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1-(3-bromophenyl)-3-cycloheptylpropan-2-amine
CID 114458146
1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine
CID 82289895
1-(3-bromophenyl)-5,5-dimethylhexan-2-amine
CID 62601843
4-[(2R)-2-amino-3-pyrrolidin-1-ylpropyl]benzonitrile
CID 129196836
1-(azocan-1-yl)-4-phenylbutan-2-amine
CID 114929504
1-(3-bromophenyl)-3-(cyclopropylmethoxy)propan-2-amine
CID 106931250
1-(3-bromophenyl)-3-(thian-4-yl)propan-2-amine
CID 105089697
1-(8-azaspiro[4.5]decan-8-yl)-3-phenylpropan-2-amine
CID 63161076
(3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol
CID 143402490
1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066288

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-3-pyrrolidin-1-ylpropan-2-amine (CID 82307455) is 1-(3-bromophenyl)-3-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-pyrrolidin-1-ylpropan-2-amine is NC(Cc1cccc(Br)c1)CN1CCCC1.
What is the InChIKey of 1-(3-bromophenyl)-3-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is ZFRZGMODSCRHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c14-12-5-3-4-11(8-12)9-13(15)10-16-6-1-2-7-16/h3-5,8,13H,1-2,6-7,9-10,15H2.
What are the key properties of 1-(3-bromophenyl)-3-pyrrolidin-1-ylpropan-2-amine?
1-(3-bromophenyl)-3-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 283.21 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 82307455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).