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

C15H22BrFN2 — CID 103866095

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN(CCNCc2cc(F)ccc2Br)CC1
InChIInChI=1S/C15H22BrFN2/c1-12-4-7-19(8-5-12)9-6-18-11-13-10-14(17)2-3-15(13)16/h2-3,10,12,18H,4-9,11H2,1H3
InChIKeyGLOWGDDZIXZJQE-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.41
Rot. Bonds5

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

N-[(2-bromo-5-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine (PubChem CID 103866095) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
PubChem CID103866095
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN(CCNCc2cc(F)ccc2Br)CC1
InChIInChI=1S/C15H22BrFN2/c1-12-4-7-19(8-5-12)9-6-18-11-13-10-14(17)2-3-15(13)16/h2-3,10,12,18H,4-9,11H2,1H3
InChIKeyGLOWGDDZIXZJQE-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
CID 103948129
N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679783
2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 119126719
N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 43312645
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679808
N-[(2-bromo-5-fluorophenyl)methyl]octan-1-amine
CID 55191408
4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol
CID 103949282
N-[(2-bromo-5-fluorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 43199275
N-[(2-chloro-4-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 60697863
N-[(4-cyclopropylphenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 79978719
(E)-N-[(2-bromo-5-fluorophenyl)methyl]pent-3-en-1-amine
CID 115777551

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine (CID 103866095) is N-[(2-bromo-5-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine is CC1CCN(CCNCc2cc(F)ccc2Br)CC1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine?
The InChIKey is GLOWGDDZIXZJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-12-4-7-19(8-5-12)9-6-18-11-13-10-14(17)2-3-15(13)16/h2-3,10,12,18H,4-9,11H2,1H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine?
N-[(2-bromo-5-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine has a molecular weight of 329.26 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 103866095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).