1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine

C17H28FN — CID 83161130

IUPAC1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1ccc(F)c(C)c1
InChIInChI=1S/C17H28FN/c1-5-11-19-17(8-6-7-13(2)3)15-9-10-16(18)14(4)12-15/h9-10,12-13,17,19H,5-8,11H2,1-4H3
InChIKeyCREOECQQNPAUFD-UHFFFAOYSA-N
MW265.42 g/mol
LogP5.00
Rot. Bonds8

About 1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine

1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine (PubChem CID 83161130) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine
PubChem CID83161130
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1ccc(F)c(C)c1
InChIInChI=1S/C17H28FN/c1-5-11-19-17(8-6-7-13(2)3)15-9-10-16(18)14(4)12-15/h9-10,12-13,17,19H,5-8,11H2,1-4H3
InChIKeyCREOECQQNPAUFD-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.42
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63413988
4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 64565153
1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028526
5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine
CID 83161134
1-(3,4-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 43493981
1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
CID 63413658
1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161179
5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine
CID 83161664
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-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028577
1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 63413897

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine (CID 83161130) is 1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine is CCCNC(CCCC(C)C)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine?
The InChIKey is CREOECQQNPAUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-5-11-19-17(8-6-7-13(2)3)15-9-10-16(18)14(4)12-15/h9-10,12-13,17,19H,5-8,11H2,1-4H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine?
1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 5.00, 8 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)-5-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 83161130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).