6-(2,4-difluoro-5-methylphenyl)-N-propan-2-ylhexan-1-amine

C16H25F2N — CID 79733100

IUPAC6-(2,4-difluoro-5-methylphenyl)-N-propan-2-ylhexan-1-amine
SMILESCc1cc(CCCCCCNC(C)C)c(F)cc1F
InChIInChI=1S/C16H25F2N/c1-12(2)19-9-7-5-4-6-8-14-10-13(3)15(17)11-16(14)18/h10-12,19H,4-9H2,1-3H3
InChIKeyJDDCBKJPTUZOIE-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.37
Rot. Bonds8

About 6-(2,4-difluoro-5-methylphenyl)-N-propan-2-ylhexan-1-amine

6-(2,4-difluoro-5-methylphenyl)-N-propan-2-ylhexan-1-amine (PubChem CID 79733100) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is 6-(2,4-difluoro-5-methylphenyl)-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name6-(2,4-difluoro-5-methylphenyl)-N-propan-2-ylhexan-1-amine
PubChem CID79733100
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name6-(2,4-difluoro-5-methylphenyl)-N-propan-2-ylhexan-1-amine
SMILESCc1cc(CCCCCCNC(C)C)c(F)cc1F
InChIInChI=1S/C16H25F2N/c1-12(2)19-9-7-5-4-6-8-14-10-13(3)15(17)11-16(14)18/h10-12,19H,4-9H2,1-3H3
InChIKeyJDDCBKJPTUZOIE-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103304826
5-(2,4-difluoro-5-methylphenyl)-N-propylpentan-1-amine
CID 79731647
N-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine
CID 65308506
6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308314
5-(4-fluoronaphthalen-1-yl)-N-propan-2-ylpentan-1-amine
CID 65305205
4-(2-chloro-5-fluorophenyl)-N-propan-2-ylbutan-1-amine
CID 102620448
3-(2,5-difluoro-4-methylphenyl)propan-1-ol
CID 117280446
1,4-difluoro-2-methyl-5-pentylbenzene
CID 58718854
6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308626
N-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine
CID 81050602
6-(2-ethoxy-5-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 65306554
1-[2-(2,4-difluoro-5-methylphenyl)ethyl]-2,3,4-trifluoro-5-methylbenzene
CID 166874468

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoro-5-methylphenyl)-N-propan-2-ylhexan-1-amine?
The IUPAC name of 6-(2,4-difluoro-5-methylphenyl)-N-propan-2-ylhexan-1-amine (CID 79733100) is 6-(2,4-difluoro-5-methylphenyl)-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 6-(2,4-difluoro-5-methylphenyl)-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 6-(2,4-difluoro-5-methylphenyl)-N-propan-2-ylhexan-1-amine is Cc1cc(CCCCCCNC(C)C)c(F)cc1F.
What is the InChIKey of 6-(2,4-difluoro-5-methylphenyl)-N-propan-2-ylhexan-1-amine?
The InChIKey is JDDCBKJPTUZOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-12(2)19-9-7-5-4-6-8-14-10-13(3)15(17)11-16(14)18/h10-12,19H,4-9H2,1-3H3.
What are the key properties of 6-(2,4-difluoro-5-methylphenyl)-N-propan-2-ylhexan-1-amine?
6-(2,4-difluoro-5-methylphenyl)-N-propan-2-ylhexan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoro-5-methylphenyl)-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 79733100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).