1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine

C16H23F2N — CID 105039592

IUPAC1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H23F2N/c1-5-10-19-14(9-6-11(2)3)15-13(17)8-7-12(4)16(15)18/h7-8,14,19H,2,5-6,9-10H2,1,3-4H3
InChIKeyBHXUKSBMBRKYSZ-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.67
Rot. Bonds7

About 1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine

1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine (PubChem CID 105039592) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
PubChem CID105039592
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H23F2N/c1-5-10-19-14(9-6-11(2)3)15-13(17)8-7-12(4)16(15)18/h7-8,14,19H,2,5-6,9-10H2,1,3-4H3
InChIKeyBHXUKSBMBRKYSZ-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine
CID 82823122
1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039435
1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475635
1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114906796
1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039445
1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039748
N-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine
CID 105039596
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 82822293
1-(3-bromo-2,6-difluorophenyl)-N-propylpentan-1-amine
CID 106942793
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105175820
1-(4-ethylsulfanylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 106849339
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474078

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine (CID 105039592) is 1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine is C=C(C)CCC(NCCC)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine?
The InChIKey is BHXUKSBMBRKYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-5-10-19-14(9-6-11(2)3)15-13(17)8-7-12(4)16(15)18/h7-8,14,19H,2,5-6,9-10H2,1,3-4H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine?
1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine has a molecular weight of 267.36 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine is sourced from PubChem (CID 105039592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).