3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine

C18H29FN2 — CID 62644973

IUPAC3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
SMILESCCNC(CCN1CCCCCCC1)c1ccccc1F
InChIInChI=1S/C18H29FN2/c1-2-20-18(16-10-6-7-11-17(16)19)12-15-21-13-8-4-3-5-9-14-21/h6-7,10-11,18,20H,2-5,8-9,12-15H2,1H3
InChIKeyOIIAFVDMNPAAPK-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.13
Rot. Bonds6

About 3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine

3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine (PubChem CID 62644973) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
PubChem CID62644973
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
SMILESCCNC(CCN1CCCCCCC1)c1ccccc1F
InChIInChI=1S/C18H29FN2/c1-2-20-18(16-10-6-7-11-17(16)19)12-15-21-13-8-4-3-5-9-14-21/h6-7,10-11,18,20H,2-5,8-9,12-15H2,1H3
InChIKeyOIIAFVDMNPAAPK-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine
CID 62645138
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
3-(3,4-dimethylpiperazin-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
CID 63634964
1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]-3-methylpyrrolidin-3-ol
CID 103358509
1-(2-fluorophenyl)-3-piperidin-1-ylpropan-1-ol
CID 62644212
1-(2-chlorophenyl)-N-ethyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62643356
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43181599
N-ethyl-1-(5-fluoro-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine
CID 83126704
1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine
CID 62618198
1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol
CID 114682044
N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63633032

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine (CID 62644973) is 3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine is CCNC(CCN1CCCCCCC1)c1ccccc1F.
What is the InChIKey of 3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine?
The InChIKey is OIIAFVDMNPAAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-2-20-18(16-10-6-7-11-17(16)19)12-15-21-13-8-4-3-5-9-14-21/h6-7,10-11,18,20H,2-5,8-9,12-15H2,1H3.
What are the key properties of 3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine?
3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 62644973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).