1-(5-bromo-2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine

C16H24BrFN2 — CID 82963871

IUPAC1-(5-bromo-2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
SMILESCC1CCN(CCNC(C)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C16H24BrFN2/c1-12-5-8-20(9-6-12)10-7-19-13(2)15-11-14(17)3-4-16(15)18/h3-4,11-13,19H,5-10H2,1-2H3
InChIKeyPTADNWHBNHPXCF-UHFFFAOYSA-N
MW343.28 g/mol
LogP3.97
Rot. Bonds5

About 1-(5-bromo-2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine

1-(5-bromo-2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine (PubChem CID 82963871) has the molecular formula C16H24BrFN2 and a molecular weight of 343.28 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
PubChem CID82963871
Molecular FormulaC16H24BrFN2
Molecular Weight343.28 g/mol
Exact Mass342.11
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
SMILESCC1CCN(CCNC(C)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C16H24BrFN2/c1-12-5-8-20(9-6-12)10-7-19-13(2)15-11-14(17)3-4-16(15)18/h3-4,11-13,19H,5-10H2,1-2H3
InChIKeyPTADNWHBNHPXCF-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 81296835
1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 61240469
1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 61240870
1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43203398
N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 82961576
N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679783
3-[1-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile
CID 82963033
N-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine
CID 63454032
1-(5-bromo-2-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82962734
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide
CID 81333212
1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 82961644

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine (CID 82963871) is 1-(5-bromo-2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine is CC1CCN(CCNC(C)c2cc(Br)ccc2F)CC1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine?
The InChIKey is PTADNWHBNHPXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2/c1-12-5-8-20(9-6-12)10-7-19-13(2)15-11-14(17)3-4-16(15)18/h3-4,11-13,19H,5-10H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine?
1-(5-bromo-2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine has a molecular weight of 343.28 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine is sourced from PubChem (CID 82963871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).