1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(furan-2-ylmethyl)methanamine

C18H23FN2O — CID 84753234

IUPAC1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(furan-2-ylmethyl)methanamine
SMILESFc1ccc(CNCc2ccco2)cc1N1CCCCCC1
InChIInChI=1S/C18H23FN2O/c19-17-8-7-15(13-20-14-16-6-5-11-22-16)12-18(17)21-9-3-1-2-4-10-21/h5-8,11-12,20H,1-4,9-10,13-14H2
InChIKeyQSHLCMHRSHQOML-UHFFFAOYSA-N
MW302.39 g/mol
LogP4.09
Rot. Bonds5

About 1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(furan-2-ylmethyl)methanamine

1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(furan-2-ylmethyl)methanamine (PubChem CID 84753234) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is 1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(furan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(furan-2-ylmethyl)methanamine
PubChem CID84753234
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(furan-2-ylmethyl)methanamine
SMILESFc1ccc(CNCc2ccco2)cc1N1CCCCCC1
InChIInChI=1S/C18H23FN2O/c19-17-8-7-15(13-20-14-16-6-5-11-22-16)12-18(17)21-9-3-1-2-4-10-21/h5-8,11-12,20H,1-4,9-10,13-14H2
InChIKeyQSHLCMHRSHQOML-UHFFFAOYSA-N
XLogP4.09
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-5-[(furan-2-ylmethylamino)methyl]phenyl]piperidin-4-ol
CID 84748130
N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 84753474
1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 84753243
N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]-2-phenylethanamine
CID 84753885
2-fluoro-5-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline
CID 84753814
N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine
CID 84753903
N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine
CID 60957165
N-[[3-(azepan-1-yl)-4-fluorophenyl]methyl]butan-2-amine
CID 84753227
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine
CID 47052543
N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 84753620
N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]propan-1-amine
CID 84753782
1-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)methanamine
CID 63022983

Frequently Asked Questions

What is the IUPAC name of 1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(furan-2-ylmethyl)methanamine?
The IUPAC name of 1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(furan-2-ylmethyl)methanamine (CID 84753234) is 1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(furan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(furan-2-ylmethyl)methanamine?
The canonical SMILES for 1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(furan-2-ylmethyl)methanamine is Fc1ccc(CNCc2ccco2)cc1N1CCCCCC1.
What is the InChIKey of 1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(furan-2-ylmethyl)methanamine?
The InChIKey is QSHLCMHRSHQOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O/c19-17-8-7-15(13-20-14-16-6-5-11-22-16)12-18(17)21-9-3-1-2-4-10-21/h5-8,11-12,20H,1-4,9-10,13-14H2.
What are the key properties of 1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(furan-2-ylmethyl)methanamine?
1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(furan-2-ylmethyl)methanamine has a molecular weight of 302.39 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(furan-2-ylmethyl)methanamine is sourced from PubChem (CID 84753234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).