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

C13H19BrN2 — CID 116951632

IUPAC1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
SMILESCNC(CC1CCNC1)c1ccccc1Br
InChIInChI=1S/C13H19BrN2/c1-15-13(8-10-6-7-16-9-10)11-4-2-3-5-12(11)14/h2-5,10,13,15-16H,6-9H2,1H3
InChIKeyRZZOEXZXFOWOAK-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.71
Rot. Bonds4

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

1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine (PubChem CID 116951632) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
PubChem CID116951632
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
SMILESCNC(CC1CCNC1)c1ccccc1Br
InChIInChI=1S/C13H19BrN2/c1-15-13(8-10-6-7-16-9-10)11-4-2-3-5-12(11)14/h2-5,10,13,15-16H,6-9H2,1H3
InChIKeyRZZOEXZXFOWOAK-UHFFFAOYSA-N
XLogP2.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951614
1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951610
1-(5-bromothiophen-2-yl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951565
1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine
CID 116951753
1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine
CID 114192091
1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951547
(1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81383485
1-(4-ethylsulfanylphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951598
2-(1-pyrrolidin-3-ylpropan-2-yl)phenol
CID 83908767
1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116948009
(2S)-2-(2-bromophenyl)-2-(methylamino)ethanol
CID 93471242
1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine
CID 79597280

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine?
The IUPAC name of 1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine (CID 116951632) is 1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine is CNC(CC1CCNC1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine?
The InChIKey is RZZOEXZXFOWOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-15-13(8-10-6-7-16-9-10)11-4-2-3-5-12(11)14/h2-5,10,13,15-16H,6-9H2,1H3.
What are the key properties of 1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine?
1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine has a molecular weight of 283.21 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine is sourced from PubChem (CID 116951632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).