1-(2-chloro-6-fluorophenyl)-3-methyl-N-propylhexan-1-amine

C16H25ClFN — CID 115845692

IUPAC1-(2-chloro-6-fluorophenyl)-3-methyl-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CCC)c1c(F)cccc1Cl
InChIInChI=1S/C16H25ClFN/c1-4-7-12(3)11-15(19-10-5-2)16-13(17)8-6-9-14(16)18/h6,8-9,12,15,19H,4-5,7,10-11H2,1-3H3
InChIKeySXCUGQQPQJMONI-UHFFFAOYSA-N
MW285.83 g/mol
LogP5.35
Rot. Bonds8

About 1-(2-chloro-6-fluorophenyl)-3-methyl-N-propylhexan-1-amine

1-(2-chloro-6-fluorophenyl)-3-methyl-N-propylhexan-1-amine (PubChem CID 115845692) has the molecular formula C16H25ClFN and a molecular weight of 285.83 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-methyl-N-propylhexan-1-amine
PubChem CID115845692
Molecular FormulaC16H25ClFN
Molecular Weight285.83 g/mol
Exact Mass285.17
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-methyl-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CCC)c1c(F)cccc1Cl
InChIInChI=1S/C16H25ClFN/c1-4-7-12(3)11-15(19-10-5-2)16-13(17)8-6-9-14(16)18/h6,8-9,12,15,19H,4-5,7,10-11H2,1-3H3
InChIKeySXCUGQQPQJMONI-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.83
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 105017578
[1-(2-chloro-6-fluorophenyl)-3-methylpentyl]hydrazine
CID 105298437
N-[1-(2-chloro-6-fluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63528128
3-(2-chloro-6-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 114275307
1-(2-chloro-6-fluorophenyl)-N-propylprop-2-yn-1-amine
CID 104995893
1-(2,6-dichlorophenyl)-N-propylnonan-1-amine
CID 115835319
1-(3-bromo-2-fluorophenyl)-3-methyl-N-propylhexan-1-amine
CID 107952811
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066046
3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 115845570
1-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 114978392
N-[1-[2-(2-chlorophenyl)sulfanyl-6-fluorophenyl]ethyl]propan-1-amine
CID 43286274

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-methyl-N-propylhexan-1-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-methyl-N-propylhexan-1-amine (CID 115845692) is 1-(2-chloro-6-fluorophenyl)-3-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-methyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-methyl-N-propylhexan-1-amine is CCCNC(CC(C)CCC)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-methyl-N-propylhexan-1-amine?
The InChIKey is SXCUGQQPQJMONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFN/c1-4-7-12(3)11-15(19-10-5-2)16-13(17)8-6-9-14(16)18/h6,8-9,12,15,19H,4-5,7,10-11H2,1-3H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-methyl-N-propylhexan-1-amine?
1-(2-chloro-6-fluorophenyl)-3-methyl-N-propylhexan-1-amine has a molecular weight of 285.83 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 115845692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).