1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine

C17H28FNO — CID 82782609

IUPAC1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine
SMILESCCCNC(CCc1cc(F)ccc1OC)C(C)(C)C
InChIInChI=1S/C17H28FNO/c1-6-11-19-16(17(2,3)4)10-7-13-12-14(18)8-9-15(13)20-5/h8-9,12,16,19H,6-7,10-11H2,1-5H3
InChIKeyFOIUHPKTJWTUPM-UHFFFAOYSA-N
MW281.41 g/mol
LogP4.18
Rot. Bonds7

About 1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine

1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine (PubChem CID 82782609) has the molecular formula C17H28FNO and a molecular weight of 281.41 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine
PubChem CID82782609
Molecular FormulaC17H28FNO
Molecular Weight281.41 g/mol
Exact Mass281.22
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine
SMILESCCCNC(CCc1cc(F)ccc1OC)C(C)(C)C
InChIInChI=1S/C17H28FNO/c1-6-11-19-16(17(2,3)4)10-7-13-12-14(18)8-9-15(13)20-5/h8-9,12,16,19H,6-7,10-11H2,1-5H3
InChIKeyFOIUHPKTJWTUPM-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-nitrophenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 60995850
1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 55185963
1-(5-fluoro-2-methoxyphenyl)pentan-3-ol
CID 82782849
2-(3-chloropentyl)-4-fluoro-1-methoxybenzene
CID 82782154
1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
CID 63400119
1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 102981095
1-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 63269936
1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 60820444
3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine
CID 114348390
1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679941
3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 82782140
1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
CID 82811862

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine (CID 82782609) is 1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine is CCCNC(CCc1cc(F)ccc1OC)C(C)(C)C.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine?
The InChIKey is FOIUHPKTJWTUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-6-11-19-16(17(2,3)4)10-7-13-12-14(18)8-9-15(13)20-5/h8-9,12,16,19H,6-7,10-11H2,1-5H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine?
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine has a molecular weight of 281.41 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine is sourced from PubChem (CID 82782609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).