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

C15H24FNO — CID 113391484

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

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

1-(4-fluoro-3-methylphenyl)-3-methoxy-N-propylbutan-1-amine (PubChem CID 113391484) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-methoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-methoxy-N-propylbutan-1-amine
PubChem CID113391484
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-methoxy-N-propylbutan-1-amine
SMILESCCCNC(CC(C)OC)c1ccc(F)c(C)c1
InChIInChI=1S/C15H24FNO/c1-5-8-17-15(10-12(3)18-4)13-6-7-14(16)11(2)9-13/h6-7,9,12,15,17H,5,8,10H2,1-4H3
InChIKeyCASSFVDYCKPVTF-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-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine
CID 107129130
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxy-N-propylbutan-1-amine
CID 107289310
1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63413988
1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161130
1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 63890244
1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105140268
4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 64565153
1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-1-amine
CID 107129129
4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine
CID 64720996
N-[2-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 103546676
N-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556420
1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine
CID 113447304

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-methoxy-N-propylbutan-1-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-methoxy-N-propylbutan-1-amine (CID 113391484) is 1-(4-fluoro-3-methylphenyl)-3-methoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-methoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-methoxy-N-propylbutan-1-amine is CCCNC(CC(C)OC)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-methoxy-N-propylbutan-1-amine?
The InChIKey is CASSFVDYCKPVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-5-8-17-15(10-12(3)18-4)13-6-7-14(16)11(2)9-13/h6-7,9,12,15,17H,5,8,10H2,1-4H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-methoxy-N-propylbutan-1-amine?
1-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-3-methoxy-N-propylbutan-1-amine is sourced from PubChem (CID 113391484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).