2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine

C18H30FNO — CID 43561588

IUPAC2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine
SMILESCCCCC(CC)C(NCCC)c1ccc(OC)cc1F
InChIInChI=1S/C18H30FNO/c1-5-8-9-14(7-3)18(20-12-6-2)16-11-10-15(21-4)13-17(16)19/h10-11,13-14,18,20H,5-9,12H2,1-4H3
InChIKeyZTWOSDLCWDBCGP-UHFFFAOYSA-N
MW295.44 g/mol
LogP5.09
Rot. Bonds10

About 2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine

2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine (PubChem CID 43561588) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is 2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine
PubChem CID43561588
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC Name2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine
SMILESCCCCC(CC)C(NCCC)c1ccc(OC)cc1F
InChIInChI=1S/C18H30FNO/c1-5-8-9-14(7-3)18(20-12-6-2)16-11-10-15(21-4)13-17(16)19/h10-11,13-14,18,20H,5-9,12H2,1-4H3
InChIKeyZTWOSDLCWDBCGP-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine
CID 113260289
1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine
CID 43491010
1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine
CID 104546055
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
CID 43561454
1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine
CID 43561596
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074
1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81305340
1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine
CID 82984646
1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine
CID 43495501
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588
N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81301494
1-(2-fluoro-4-methoxyphenyl)heptylhydrazine
CID 105256947

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine?
The IUPAC name of 2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine (CID 43561588) is 2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine.
What is the SMILES notation for 2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine?
The canonical SMILES for 2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine is CCCCC(CC)C(NCCC)c1ccc(OC)cc1F.
What is the InChIKey of 2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine?
The InChIKey is ZTWOSDLCWDBCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-5-8-9-14(7-3)18(20-12-6-2)16-11-10-15(21-4)13-17(16)19/h10-11,13-14,18,20H,5-9,12H2,1-4H3.
What are the key properties of 2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine?
2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine has a molecular weight of 295.44 g/mol, XLogP of 5.09, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine is sourced from PubChem (CID 43561588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).