N-[[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]ethanamine

C15H23BrN2 — CID 79188467

IUPACN-[[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Br)cc1N1CC(C)C(C)C1
InChIInChI=1S/C15H23BrN2/c1-4-17-8-13-5-6-14(16)7-15(13)18-9-11(2)12(3)10-18/h5-7,11-12,17H,4,8-10H2,1-3H3
InChIKeyTZXFGMGONVKBPT-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.65
Rot. Bonds4

About N-[[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]ethanamine

N-[[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]ethanamine (PubChem CID 79188467) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N-[[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]ethanamine
PubChem CID79188467
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC NameN-[[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Br)cc1N1CC(C)C(C)C1
InChIInChI=1S/C15H23BrN2/c1-4-17-8-13-5-6-14(16)7-15(13)18-9-11(2)12(3)10-18/h5-7,11-12,17H,4,8-10H2,1-3H3
InChIKeyTZXFGMGONVKBPT-UHFFFAOYSA-N
XLogP3.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 43280395
N-[[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]ethanamine
CID 63972340
[4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777528
1-[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylethanamine
CID 82968326
N-[[4-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81247739
1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol
CID 43281090
N-[(4-bromo-2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 43280272
1-[2-(ethylaminomethyl)phenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81475046
4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)benzenecarbothioamide
CID 114903342
(2R,6S)-4-[5-bromo-2-(bromomethyl)phenyl]-2,6-dimethylmorpholine
CID 107085389
N-[[4-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]ethanamine
CID 43282149
N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]ethanamine (CID 79188467) is N-[[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]ethanamine is CCNCc1ccc(Br)cc1N1CC(C)C(C)C1.
What is the InChIKey of N-[[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is TZXFGMGONVKBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-4-17-8-13-5-6-14(16)7-15(13)18-9-11(2)12(3)10-18/h5-7,11-12,17H,4,8-10H2,1-3H3.
What are the key properties of N-[[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
N-[[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 311.27 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 79188467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).