1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine

C16H24BrFN2 — CID 106622422

IUPAC1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
SMILESCCN(CC1CCCCN1)C(C)c1ccc(Br)cc1F
InChIInChI=1S/C16H24BrFN2/c1-3-20(11-14-6-4-5-9-19-14)12(2)15-8-7-13(17)10-16(15)18/h7-8,10,12,14,19H,3-6,9,11H2,1-2H3
InChIKeyMXLCGEAMJVIILJ-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.11
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine

1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 106622422) has the molecular formula C16H24BrFN2 and a molecular weight of 343.28 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID106622422
Molecular FormulaC16H24BrFN2
Molecular Weight343.28 g/mol
Exact Mass342.11
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
SMILESCCN(CC1CCCCN1)C(C)c1ccc(Br)cc1F
InChIInChI=1S/C16H24BrFN2/c1-3-20(11-14-6-4-5-9-19-14)12(2)15-8-7-13(17)10-16(15)18/h7-8,10,12,14,19H,3-6,9,11H2,1-2H3
InChIKeyMXLCGEAMJVIILJ-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluoro-4-methylphenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603359
1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603332
N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623204
N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622443
1-(2,4-difluorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622772
1-(4-bromo-2-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106604340
N-[1-(4-bromo-2-chlorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604748
3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol
CID 107720853
N-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622603
4-[1-[ethyl(piperidin-2-ylmethyl)amino]ethyl]benzonitrile
CID 106622496
N-ethyl-N-(piperidin-2-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 106622495
4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549522

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine (CID 106622422) is 1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine is CCN(CC1CCCCN1)C(C)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is MXLCGEAMJVIILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2/c1-3-20(11-14-6-4-5-9-19-14)12(2)15-8-7-13(17)10-16(15)18/h7-8,10,12,14,19H,3-6,9,11H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine?
1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 343.28 g/mol, XLogP of 4.11, 5 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-ethyl-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106622422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).