1-(2-fluoro-4,6-dimethylphenyl)-N-propylhexan-3-amine

C17H28FN — CID 106882504

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)CCc1c(C)cc(C)cc1F
InChIInChI=1S/C17H28FN/c1-5-7-15(19-10-6-2)8-9-16-14(4)11-13(3)12-17(16)18/h11-12,15,19H,5-10H2,1-4H3
InChIKeyPGJGZZQJDXRWSQ-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.54
Rot. Bonds8

About 1-(2-fluoro-4,6-dimethylphenyl)-N-propylhexan-3-amine

1-(2-fluoro-4,6-dimethylphenyl)-N-propylhexan-3-amine (PubChem CID 106882504) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-N-propylhexan-3-amine
PubChem CID106882504
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)CCc1c(C)cc(C)cc1F
InChIInChI=1S/C17H28FN/c1-5-7-15(19-10-6-2)8-9-16-14(4)11-13(3)12-17(16)18/h11-12,15,19H,5-10H2,1-4H3
InChIKeyPGJGZZQJDXRWSQ-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloropentyl)-1-fluoro-3,5-dimethylbenzene
CID 106882568
N-ethyl-3-(2-fluoro-4,6-dimethylphenyl)-1-phenylpropan-1-amine
CID 106882518
ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene
CID 170736558
1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine
CID 105375522
N-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine
CID 62604631
1-(3-bromo-2,6-difluorophenyl)-N-propylheptan-4-amine
CID 106272992
1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine
CID 79088757
2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine
CID 106881995
5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 105121210
5-methoxy-N-propyl-1-(2,4,6-trimethylphenyl)hexan-2-amine
CID 105120818
1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 115601465
1-cyclopropyl-3-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106882484

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-N-propylhexan-3-amine?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-N-propylhexan-3-amine (CID 106882504) is 1-(2-fluoro-4,6-dimethylphenyl)-N-propylhexan-3-amine.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-N-propylhexan-3-amine?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-N-propylhexan-3-amine is CCCNC(CCC)CCc1c(C)cc(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-N-propylhexan-3-amine?
The InChIKey is PGJGZZQJDXRWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-5-7-15(19-10-6-2)8-9-16-14(4)11-13(3)12-17(16)18/h11-12,15,19H,5-10H2,1-4H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-N-propylhexan-3-amine?
1-(2-fluoro-4,6-dimethylphenyl)-N-propylhexan-3-amine has a molecular weight of 265.42 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-N-propylhexan-3-amine is sourced from PubChem (CID 106882504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).