2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine

C15H22BrFN2 — CID 63624974

IUPAC2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
SMILESCC1CCCN(C(CN)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C15H22BrFN2/c1-11-3-2-7-19(8-6-11)15(10-18)13-9-12(16)4-5-14(13)17/h4-5,9,11,15H,2-3,6-8,10,18H2,1H3
InChIKeyVAHNMYDZJXGSOT-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.71
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine

2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine (PubChem CID 63624974) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
PubChem CID63624974
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC Name2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
SMILESCC1CCCN(C(CN)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C15H22BrFN2/c1-11-3-2-7-19(8-6-11)15(10-18)13-9-12(16)4-5-14(13)17/h4-5,9,11,15H,2-3,6-8,10,18H2,1H3
InChIKeyVAHNMYDZJXGSOT-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16784586
2-(5-chloro-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 114843187
2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965132
(2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552545
2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63624416
2-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622193
2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine
CID 63622557
(2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 93285194
2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 81436946
(2S)-2-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552543
2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 43364591
2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 55248238

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine (CID 63624974) is 2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine is CC1CCCN(C(CN)c2cc(Br)ccc2F)CC1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine?
The InChIKey is VAHNMYDZJXGSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-11-3-2-7-19(8-6-11)15(10-18)13-9-12(16)4-5-14(13)17/h4-5,9,11,15H,2-3,6-8,10,18H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine?
2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine has a molecular weight of 329.26 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine is sourced from PubChem (CID 63624974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).