3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine

C18H30FNO — CID 114348390

IUPAC3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(F)cc1C)C(CC)(CC)OC
InChIInChI=1S/C18H30FNO/c1-6-11-20-17(18(7-2,8-3)21-5)13-15-9-10-16(19)12-14(15)4/h9-10,12,17,20H,6-8,11,13H2,1-5H3
InChIKeyHETUKHWAAMWHNA-UHFFFAOYSA-N
MW295.44 g/mol
LogP4.25
Rot. Bonds9

About 3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine

3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine (PubChem CID 114348390) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is 3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine
PubChem CID114348390
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC Name3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(F)cc1C)C(CC)(CC)OC
InChIInChI=1S/C18H30FNO/c1-6-11-20-17(18(7-2,8-3)21-5)13-15-9-10-16(19)12-14(15)4/h9-10,12,17,20H,6-8,11,13H2,1-5H3
InChIKeyHETUKHWAAMWHNA-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116761381
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 106868842
1-(2-bromo-4-fluorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
CID 116760800
3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116760324
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine
CID 114348350
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 82782609
1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198282
3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116758206
N-[2-(4-fluoro-2-methylphenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114347799
1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine
CID 116758355
N-[2-(4-fluoro-2-methylphenyl)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 114347863
1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103025074

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine?
The IUPAC name of 3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine (CID 114348390) is 3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine.
What is the SMILES notation for 3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine?
The canonical SMILES for 3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine is CCCNC(Cc1ccc(F)cc1C)C(CC)(CC)OC.
What is the InChIKey of 3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine?
The InChIKey is HETUKHWAAMWHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-6-11-20-17(18(7-2,8-3)21-5)13-15-9-10-16(19)12-14(15)4/h9-10,12,17,20H,6-8,11,13H2,1-5H3.
What are the key properties of 3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine?
3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine has a molecular weight of 295.44 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine is sourced from PubChem (CID 114348390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).