1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine

C17H28FNO — CID 103031710

IUPAC1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1cc(F)ccc1C
InChIInChI=1S/C17H28FNO/c1-6-11-19-16(9-10-17(3,4)20-5)15-12-14(18)8-7-13(15)2/h7-8,12,16,19H,6,9-11H2,1-5H3
InChIKeyTVWXXNKJAASXSG-UHFFFAOYSA-N
MW281.41 g/mol
LogP4.38
Rot. Bonds8

About 1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine

1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine (PubChem CID 103031710) has the molecular formula C17H28FNO and a molecular weight of 281.41 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
PubChem CID103031710
Molecular FormulaC17H28FNO
Molecular Weight281.41 g/mol
Exact Mass281.22
IUPAC Name1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1cc(F)ccc1C
InChIInChI=1S/C17H28FNO/c1-6-11-19-16(9-10-17(3,4)20-5)15-12-14(18)8-7-13(15)2/h7-8,12,16,19H,6,9-11H2,1-5H3
InChIKeyTVWXXNKJAASXSG-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026629
1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031475
1-(5-fluoro-2-methylphenyl)-N-propylhexan-1-amine
CID 63416508
4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 103031413
1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031576
4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 106792507
4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 103035971
1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031317
1-(5-fluoro-2-methylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105142446
1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 107130389
1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 107969419
N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 102977960

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine (CID 103031710) is 1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)c1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The InChIKey is TVWXXNKJAASXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-6-11-19-16(9-10-17(3,4)20-5)15-12-14(18)8-7-13(15)2/h7-8,12,16,19H,6,9-11H2,1-5H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine has a molecular weight of 281.41 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 103031710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).