1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol

C13H19BrN2O — CID 114889778

IUPAC1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ccc(Br)cc2CN)C1
InChIInChI=1S/C13H19BrN2O/c1-9(17)10-4-5-16(8-10)13-3-2-12(14)6-11(13)7-15/h2-3,6,9-10,17H,4-5,7-8,15H2,1H3
InChIKeyCJEYCMXHGGRKRB-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.11
Rot. Bonds3

About 1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol

1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol (PubChem CID 114889778) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol
PubChem CID114889778
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ccc(Br)cc2CN)C1
InChIInChI=1S/C13H19BrN2O/c1-9(17)10-4-5-16(8-10)13-3-2-12(14)6-11(13)7-15/h2-3,6,9-10,17H,4-5,7-8,15H2,1H3
InChIKeyCJEYCMXHGGRKRB-UHFFFAOYSA-N
XLogP2.11
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 107532475
1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol
CID 107933036
1-[1-[4-(aminomethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112624325
1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624320
1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 114061978
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-bromophenyl]methanamine
CID 114889665
1-[1-[4-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853256
1-[5-bromo-2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone
CID 106836240
[5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine
CID 114889518
1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624306
1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol
CID 112624192
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942850

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol (CID 114889778) is 1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2ccc(Br)cc2CN)C1.
What is the InChIKey of 1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol?
The InChIKey is CJEYCMXHGGRKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9(17)10-4-5-16(8-10)13-3-2-12(14)6-11(13)7-15/h2-3,6,9-10,17H,4-5,7-8,15H2,1H3.
What are the key properties of 1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol?
1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol has a molecular weight of 299.21 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114889778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).