3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine

C18H29FN2 — CID 62645138

IUPAC3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCN1CCCCCC1)c1ccccc1F
InChIInChI=1S/C18H29FN2/c1-2-12-20-18(16-9-5-6-10-17(16)19)11-15-21-13-7-3-4-8-14-21/h5-6,9-10,18,20H,2-4,7-8,11-15H2,1H3
InChIKeyATLJFXGHSFUAPU-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.13
Rot. Bonds7

About 3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine

3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine (PubChem CID 62645138) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine
PubChem CID62645138
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCN1CCCCCC1)c1ccccc1F
InChIInChI=1S/C18H29FN2/c1-2-12-20-18(16-9-5-6-10-17(16)19)11-15-21-13-7-3-4-8-14-21/h5-6,9-10,18,20H,2-4,7-8,11-15H2,1H3
InChIKeyATLJFXGHSFUAPU-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
CID 62644973
3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine
CID 62644958
1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]piperidin-3-ol
CID 62642826
1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115996672
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43181599
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine
CID 62644007
N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 55186438
1-(2-fluorophenyl)-3-piperidin-1-ylpropan-1-ol
CID 62644212
1-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)-N-propylpropan-1-amine
CID 62643827
1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63484292
1-(2-fluorophenyl)-4-phenyl-N-propylbutan-1-amine
CID 63417879
1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62644284

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine?
The IUPAC name of 3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine (CID 62645138) is 3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine is CCCNC(CCN1CCCCCC1)c1ccccc1F.
What is the InChIKey of 3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine?
The InChIKey is ATLJFXGHSFUAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-2-12-20-18(16-9-5-6-10-17(16)19)11-15-21-13-7-3-4-8-14-21/h5-6,9-10,18,20H,2-4,7-8,11-15H2,1H3.
What are the key properties of 3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine?
3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 62645138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).