1-(4-bromo-2-fluorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine

C15H22BrFN2 — CID 82963875

IUPAC1-(4-bromo-2-fluorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
SMILESCC(NCC1CCCCN1C)c1ccc(Br)cc1F
InChIInChI=1S/C15H22BrFN2/c1-11(14-7-6-12(16)9-15(14)17)18-10-13-5-3-4-8-19(13)2/h6-7,9,11,13,18H,3-5,8,10H2,1-2H3
InChIKeyANRXYVWNPBGCRO-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.72
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine

1-(4-bromo-2-fluorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine (PubChem CID 82963875) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
PubChem CID82963875
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
SMILESCC(NCC1CCCCN1C)c1ccc(Br)cc1F
InChIInChI=1S/C15H22BrFN2/c1-11(14-7-6-12(16)9-15(14)17)18-10-13-5-3-4-8-19(13)2/h6-7,9,11,13,18H,3-5,8,10H2,1-2H3
InChIKeyANRXYVWNPBGCRO-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-bromophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 81381366
1-(3-bromo-4-fluorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 113260519
1-(4-bromo-2-fluorophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine
CID 82964845
1-(4-bromo-2-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 82963551
1-(4-bromo-2-fluorophenyl)-N-(cyclohex-3-en-1-ylmethyl)ethanamine
CID 82964326
(1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 81349160
1-(5-bromo-2-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82962734
2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 63427545
4-bromo-2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 103270066
(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 81403117
1-[4-bromo-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-N-ethylethanamine
CID 82956092
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,2-difluoroethanamine
CID 82964200

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine (CID 82963875) is 1-(4-bromo-2-fluorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine is CC(NCC1CCCCN1C)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine?
The InChIKey is ANRXYVWNPBGCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-11(14-7-6-12(16)9-15(14)17)18-10-13-5-3-4-8-19(13)2/h6-7,9,11,13,18H,3-5,8,10H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine?
1-(4-bromo-2-fluorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine has a molecular weight of 329.26 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 82963875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).