1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine

C16H26FN — CID 63413988

IUPAC1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)c1ccc(F)c(C)c1
InChIInChI=1S/C16H26FN/c1-5-10-18-16(9-6-12(2)3)14-7-8-15(17)13(4)11-14/h7-8,11-12,16,18H,5-6,9-10H2,1-4H3
InChIKeyGUYIXSKGVRBYBH-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.61
Rot. Bonds7

About 1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine

1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine (PubChem CID 63413988) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
PubChem CID63413988
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)c1ccc(F)c(C)c1
InChIInChI=1S/C16H26FN/c1-5-10-18-16(9-6-12(2)3)14-7-8-15(17)13(4)11-14/h7-8,11-12,16,18H,5-6,9-10H2,1-4H3
InChIKeyGUYIXSKGVRBYBH-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161130
1-(3,4-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 43493981
4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 64565153
1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 63890244
1-(4-fluoro-3-methylphenyl)-3-methoxy-N-propylbutan-1-amine
CID 113391484
1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105143097
N-[1-(4-fluoro-3-methylphenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63413503
4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine
CID 64720996
1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
CID 63413658
1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63417237
1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028526
N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83175003

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine (CID 63413988) is 1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)C)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine?
The InChIKey is GUYIXSKGVRBYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-5-10-18-16(9-6-12(2)3)14-7-8-15(17)13(4)11-14/h7-8,11-12,16,18H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine?
1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 63413988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).