1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine

C15H24FNO — CID 107129130

IUPAC1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine
SMILESCCCNC(CC(C)OC)c1ccc(C)c(F)c1
InChIInChI=1S/C15H24FNO/c1-5-8-17-15(9-12(3)18-4)13-7-6-11(2)14(16)10-13/h6-7,10,12,15,17H,5,8-9H2,1-4H3
InChIKeyJYHITRBVVVXCBP-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.60
Rot. Bonds7

About 1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine

1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine (PubChem CID 107129130) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine
PubChem CID107129130
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine
SMILESCCCNC(CC(C)OC)c1ccc(C)c(F)c1
InChIInChI=1S/C15H24FNO/c1-5-8-17-15(9-12(3)18-4)13-7-6-11(2)14(16)10-13/h6-7,10,12,15,17H,5,8-9H2,1-4H3
InChIKeyJYHITRBVVVXCBP-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-3-methoxy-N-propylbutan-1-amine
CID 113391484
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxy-N-propylbutan-1-amine
CID 107289310
1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-1-amine
CID 107129129
1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
CID 63413658
1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 107130389
methyl 3-(3-fluoro-4-methylphenyl)-3-(propylamino)propanoate
CID 65236016
1-(3-fluoro-4-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine
CID 102697233
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine
CID 60818718
1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105140268
1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine
CID 113447304
1-(4-bromo-3-fluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 115781989

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine (CID 107129130) is 1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine is CCCNC(CC(C)OC)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine?
The InChIKey is JYHITRBVVVXCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-5-8-17-15(9-12(3)18-4)13-7-6-11(2)14(16)10-13/h6-7,10,12,15,17H,5,8-9H2,1-4H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine?
1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine is sourced from PubChem (CID 107129130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).