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

C13H19BrN2O — CID 112747807

IUPAC2-[1-[4-(aminomethyl)-3-bromophenyl]pyrrolidin-2-yl]ethanol
SMILESNCc1ccc(N2CCCC2CCO)cc1Br
InChIInChI=1S/C13H19BrN2O/c14-13-8-12(4-3-10(13)9-15)16-6-1-2-11(16)5-7-17/h3-4,8,11,17H,1-2,5-7,9,15H2
InChIKeyGXMTXDQXUBHDKQ-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.26
Rot. Bonds4

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

2-[1-[4-(aminomethyl)-3-bromophenyl]pyrrolidin-2-yl]ethanol (PubChem CID 112747807) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[1-[4-(aminomethyl)-3-bromophenyl]pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-(aminomethyl)-3-bromophenyl]pyrrolidin-2-yl]ethanol
PubChem CID112747807
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-[1-[4-(aminomethyl)-3-bromophenyl]pyrrolidin-2-yl]ethanol
SMILESNCc1ccc(N2CCCC2CCO)cc1Br
InChIInChI=1S/C13H19BrN2O/c14-13-8-12(4-3-10(13)9-15)16-6-1-2-11(16)5-7-17/h3-4,8,11,17H,1-2,5-7,9,15H2
InChIKeyGXMTXDQXUBHDKQ-UHFFFAOYSA-N
XLogP2.26
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol
CID 55076124
2-[1-(3,4-dichlorophenyl)pyrrolidin-2-yl]ethanol
CID 117028575
2-[1-(4-amino-3-methylphenyl)piperidin-2-yl]ethanol
CID 43436167
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-yl]ethanol
CID 117028574
2-[1-(3-chloro-4-methylphenyl)pyrrolidin-2-yl]ethanol
CID 117028541
2-[1-[2-(aminomethyl)-4-pyridinyl]piperidin-2-yl]ethanol
CID 62925861
1-[4-(aminomethyl)-3-bromophenyl]piperidin-4-ol
CID 107274657
[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-bromophenyl]methanamine
CID 107275009
2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol
CID 117028550
1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-2-yl]propan-2-ol
CID 112747815
[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine
CID 104688921
[2-bromo-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 107274914

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(aminomethyl)-3-bromophenyl]pyrrolidin-2-yl]ethanol?
The IUPAC name of 2-[1-[4-(aminomethyl)-3-bromophenyl]pyrrolidin-2-yl]ethanol (CID 112747807) is 2-[1-[4-(aminomethyl)-3-bromophenyl]pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[4-(aminomethyl)-3-bromophenyl]pyrrolidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[4-(aminomethyl)-3-bromophenyl]pyrrolidin-2-yl]ethanol is NCc1ccc(N2CCCC2CCO)cc1Br.
What is the InChIKey of 2-[1-[4-(aminomethyl)-3-bromophenyl]pyrrolidin-2-yl]ethanol?
The InChIKey is GXMTXDQXUBHDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c14-13-8-12(4-3-10(13)9-15)16-6-1-2-11(16)5-7-17/h3-4,8,11,17H,1-2,5-7,9,15H2.
What are the key properties of 2-[1-[4-(aminomethyl)-3-bromophenyl]pyrrolidin-2-yl]ethanol?
2-[1-[4-(aminomethyl)-3-bromophenyl]pyrrolidin-2-yl]ethanol has a molecular weight of 299.21 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(aminomethyl)-3-bromophenyl]pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 112747807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).