3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine

C18H30FN — CID 63414460

IUPAC3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine
SMILESCCCCC(CC)CC(NCCC)c1ccc(F)cc1
InChIInChI=1S/C18H30FN/c1-4-7-8-15(6-3)14-18(20-13-5-2)16-9-11-17(19)12-10-16/h9-12,15,18,20H,4-8,13-14H2,1-3H3
InChIKeyPEYUFYNVEZDMSL-UHFFFAOYSA-N
MW279.44 g/mol
LogP5.47
Rot. Bonds10

About 3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine

3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine (PubChem CID 63414460) has the molecular formula C18H30FN and a molecular weight of 279.44 g/mol. Its IUPAC name is 3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine
PubChem CID63414460
Molecular FormulaC18H30FN
Molecular Weight279.44 g/mol
Exact Mass279.24
IUPAC Name3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine
SMILESCCCCC(CC)CC(NCCC)c1ccc(F)cc1
InChIInChI=1S/C18H30FN/c1-4-7-8-15(6-3)14-18(20-13-5-2)16-9-11-17(19)12-10-16/h9-12,15,18,20H,4-8,13-14H2,1-3H3
InChIKeyPEYUFYNVEZDMSL-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.44
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine
CID 115806713
1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine
CID 115567795
N,3-diethyl-1-(4-iodophenyl)heptan-1-amine
CID 115805946
3-ethyl-1-(3-methoxyphenyl)-N-propylheptan-1-amine
CID 63414016
3-ethyl-1-(furan-2-yl)-N-propylheptan-1-amine
CID 63416317
3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine
CID 63414646
N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 103780964
1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine
CID 63415307
1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
CID 63484521
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine
CID 63416460

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine?
The IUPAC name of 3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine (CID 63414460) is 3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine.
What is the SMILES notation for 3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine?
The canonical SMILES for 3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine is CCCCC(CC)CC(NCCC)c1ccc(F)cc1.
What is the InChIKey of 3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine?
The InChIKey is PEYUFYNVEZDMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN/c1-4-7-8-15(6-3)14-18(20-13-5-2)16-9-11-17(19)12-10-16/h9-12,15,18,20H,4-8,13-14H2,1-3H3.
What are the key properties of 3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine?
3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine has a molecular weight of 279.44 g/mol, XLogP of 5.47, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine is sourced from PubChem (CID 63414460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).