2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine

C16H25FN2 — CID 63624416

IUPAC2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine
SMILESCc1cc(F)ccc1C(CN)N1CCCC(C)CC1
InChIInChI=1S/C16H25FN2/c1-12-4-3-8-19(9-7-12)16(11-18)15-6-5-14(17)10-13(15)2/h5-6,10,12,16H,3-4,7-9,11,18H2,1-2H3
InChIKeyNFLCKEIKKRYXJY-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.26
Rot. Bonds3

About 2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine

2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine (PubChem CID 63624416) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine
PubChem CID63624416
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine
SMILESCc1cc(F)ccc1C(CN)N1CCCC(C)CC1
InChIInChI=1S/C16H25FN2/c1-12-4-3-8-19(9-7-12)16(11-18)15-6-5-14(17)10-13(15)2/h5-6,10,12,16H,3-4,7-9,11,18H2,1-2H3
InChIKeyNFLCKEIKKRYXJY-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 62134804
2-(4-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
CID 62136156
2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine
CID 63622557
2-(5-chloro-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 114843187
2-(3-ethoxypiperidin-1-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 62136337
(2S)-2-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552543
2-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622193
2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63624974
(2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 51656542
(2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552545
1-[2-amino-1-(4-fluoro-2-methylphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63172035
2-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
CID 114075463

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine (CID 63624416) is 2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine is Cc1cc(F)ccc1C(CN)N1CCCC(C)CC1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine?
The InChIKey is NFLCKEIKKRYXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12-4-3-8-19(9-7-12)16(11-18)15-6-5-14(17)10-13(15)2/h5-6,10,12,16H,3-4,7-9,11,18H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine?
2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine has a molecular weight of 264.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine is sourced from PubChem (CID 63624416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).