1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine

C15H23FN2 — CID 107521219

IUPAC1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
SMILESCC1CCCN(CC(N)c2cccc(F)c2)CC1
InChIInChI=1S/C15H23FN2/c1-12-4-3-8-18(9-7-12)11-15(17)13-5-2-6-14(16)10-13/h2,5-6,10,12,15H,3-4,7-9,11,17H2,1H3
InChIKeyFLAWXLMBLLQHHI-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.95
Rot. Bonds3

About 1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine

1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine (PubChem CID 107521219) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
PubChem CID107521219
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
SMILESCC1CCCN(CC(N)c2cccc(F)c2)CC1
InChIInChI=1S/C15H23FN2/c1-12-4-3-8-18(9-7-12)11-15(17)13-5-2-6-14(16)10-13/h2,5-6,10,12,15H,3-4,7-9,11,17H2,1H3
InChIKeyFLAWXLMBLLQHHI-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylazepan-1-yl)-1-(3-fluorophenyl)ethanamine
CID 107521429
1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 55249009
1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 62643218
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)ethanamine
CID 107520322
1-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16643559
1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 107519754
1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine
CID 63624690
2-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622193
1-(3-fluorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 107521089
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-fluorophenyl)ethanamine
CID 107522123
2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952
3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 55249992

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine (CID 107521219) is 1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine is CC1CCCN(CC(N)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine?
The InChIKey is FLAWXLMBLLQHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12-4-3-8-18(9-7-12)11-15(17)13-5-2-6-14(16)10-13/h2,5-6,10,12,15H,3-4,7-9,11,17H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine?
1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine has a molecular weight of 250.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine is sourced from PubChem (CID 107521219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).