[2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanamine

C14H20BrFN2O — CID 107532524

IUPAC[2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanamine
SMILESCOC1CN(c2ccc(CN)c(Br)c2F)CCC1C
InChIInChI=1S/C14H20BrFN2O/c1-9-5-6-18(8-12(9)19-2)11-4-3-10(7-17)13(15)14(11)16/h3-4,9,12H,5-8,17H2,1-2H3
InChIKeyWVYRFUFBIHZIOB-UHFFFAOYSA-N
MW331.23 g/mol
LogP2.91
Rot. Bonds3

About [2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanamine

[2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanamine (PubChem CID 107532524) has the molecular formula C14H20BrFN2O and a molecular weight of 331.23 g/mol. Its IUPAC name is [2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanamine
PubChem CID107532524
Molecular FormulaC14H20BrFN2O
Molecular Weight331.23 g/mol
Exact Mass330.07
IUPAC Name[2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanamine
SMILESCOC1CN(c2ccc(CN)c(Br)c2F)CCC1C
InChIInChI=1S/C14H20BrFN2O/c1-9-5-6-18(8-12(9)19-2)11-4-3-10(7-17)13(15)14(11)16/h3-4,9,12H,5-8,17H2,1-2H3
InChIKeyWVYRFUFBIHZIOB-UHFFFAOYSA-N
XLogP2.91
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)benzoic acid
CID 107540548
2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)benzenecarbothioamide
CID 107535472
2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)benzonitrile
CID 107534127
1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]-N,N-diethylpyrrolidin-3-amine
CID 107532368
1-[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 107532475
[2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
CID 107933093
5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
CID 102955590
N-[[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 107532516
(1S)-1-[3-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102959008
[2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine
CID 107933095
2-bromo-4-(3,4-dimethylpiperidin-1-yl)-3-fluorobenzoic acid
CID 107540517
[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol
CID 102959940

Frequently Asked Questions

What is the IUPAC name of [2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanamine (CID 107532524) is [2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanamine is COC1CN(c2ccc(CN)c(Br)c2F)CCC1C.
What is the InChIKey of [2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanamine?
The InChIKey is WVYRFUFBIHZIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O/c1-9-5-6-18(8-12(9)19-2)11-4-3-10(7-17)13(15)14(11)16/h3-4,9,12H,5-8,17H2,1-2H3.
What are the key properties of [2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanamine?
[2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanamine has a molecular weight of 331.23 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 107532524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).