1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine

C12H17BrN2 — CID 116936043

IUPAC1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine
SMILESNC(CC1CCCN1)c1cccc(Br)c1
InChIInChI=1S/C12H17BrN2/c13-10-4-1-3-9(7-10)12(14)8-11-5-2-6-15-11/h1,3-4,7,11-12,15H,2,5-6,8,14H2
InChIKeyPYGLBRIMNBEWCY-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.59
Rot. Bonds3

About 1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine

1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine (PubChem CID 116936043) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine
PubChem CID116936043
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine
SMILESNC(CC1CCCN1)c1cccc(Br)c1
InChIInChI=1S/C12H17BrN2/c13-10-4-1-3-9(7-10)12(14)8-11-5-2-6-15-11/h1,3-4,7,11-12,15H,2,5-6,8,14H2
InChIKeyPYGLBRIMNBEWCY-UHFFFAOYSA-N
XLogP2.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol
CID 79560834
2-pyrrolidin-2-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 116935941
1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanamine
CID 116935942
1-(6-methylnaphthalen-2-yl)-2-pyrrolidin-2-ylethanamine
CID 116936059
1-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-2-ylethanamine
CID 116935969
1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine
CID 116936032
1-(5-bromo-2-fluorophenyl)-2-piperidin-2-ylethanamine
CID 116936289
3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540116
N-[(3-bromophenyl)-(3-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119810405
2-pyrrolidin-2-yl-1-thiophen-2-ylethanamine
CID 116935934
2-[2-(3-chlorophenyl)-2-fluoroethyl]pyrrolidine
CID 105485071
6-(1-amino-2-pyrrolidin-2-ylethyl)-3-methyl-1,3-benzoxazol-2-one
CID 116936028

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine?
The IUPAC name of 1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine (CID 116936043) is 1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine?
The canonical SMILES for 1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine is NC(CC1CCCN1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine?
The InChIKey is PYGLBRIMNBEWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c13-10-4-1-3-9(7-10)12(14)8-11-5-2-6-15-11/h1,3-4,7,11-12,15H,2,5-6,8,14H2.
What are the key properties of 1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine?
1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine has a molecular weight of 269.19 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine is sourced from PubChem (CID 116936043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).