3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline

C15H23FN2 — CID 55249992

IUPAC3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
SMILESCC1CCCN(CCNc2cccc(F)c2)CC1
InChIInChI=1S/C15H23FN2/c1-13-4-3-9-18(10-7-13)11-8-17-15-6-2-5-14(16)12-15/h2,5-6,12-13,17H,3-4,7-11H2,1H3
InChIKeyWSLCKMHCRMDNIK-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.36
Rot. Bonds4

About 3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline

3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline (PubChem CID 55249992) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
PubChem CID55249992
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
SMILESCC1CCCN(CCNc2cccc(F)c2)CC1
InChIInChI=1S/C15H23FN2/c1-13-4-3-9-18(10-7-13)11-8-17-15-6-2-5-14(16)12-15/h2,5-6,12-13,17H,3-4,7-11H2,1H3
InChIKeyWSLCKMHCRMDNIK-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline
CID 62575706
N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline
CID 62556361
4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 63626139
N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-3-fluoroaniline
CID 55090353
4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 63627196
1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine
CID 63624690
3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62561355
N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-fluoroaniline
CID 63503645
1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 107521219
N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679808
3-fluoro-N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]aniline
CID 107395599
N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline
CID 19827128

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline?
The IUPAC name of 3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline (CID 55249992) is 3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline.
What is the SMILES notation for 3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline?
The canonical SMILES for 3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline is CC1CCCN(CCNc2cccc(F)c2)CC1.
What is the InChIKey of 3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline?
The InChIKey is WSLCKMHCRMDNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-13-4-3-9-18(10-7-13)11-8-17-15-6-2-5-14(16)12-15/h2,5-6,12-13,17H,3-4,7-11H2,1H3.
What are the key properties of 3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline?
3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline has a molecular weight of 250.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline is sourced from PubChem (CID 55249992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).