1-(2,3-difluoro-4-methylphenyl)-4-methylcycloheptan-1-amine

C15H21F2N — CID 107512504

IUPAC1-(2,3-difluoro-4-methylphenyl)-4-methylcycloheptan-1-amine
SMILESCc1ccc(C2(N)CCCC(C)CC2)c(F)c1F
InChIInChI=1S/C15H21F2N/c1-10-4-3-8-15(18,9-7-10)12-6-5-11(2)13(16)14(12)17/h5-6,10H,3-4,7-9,18H2,1-2H3
InChIKeyVTKFENTVGXLQGI-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.03
Rot. Bonds1

About 1-(2,3-difluoro-4-methylphenyl)-4-methylcycloheptan-1-amine

1-(2,3-difluoro-4-methylphenyl)-4-methylcycloheptan-1-amine (PubChem CID 107512504) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-4-methylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-4-methylcycloheptan-1-amine
PubChem CID107512504
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-4-methylcycloheptan-1-amine
SMILESCc1ccc(C2(N)CCCC(C)CC2)c(F)c1F
InChIInChI=1S/C15H21F2N/c1-10-4-3-8-15(18,9-7-10)12-6-5-11(2)13(16)14(12)17/h5-6,10H,3-4,7-9,18H2,1-2H3
InChIKeyVTKFENTVGXLQGI-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-amine
CID 107512496
3-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)cyclohexan-1-amine
CID 107512498
4-methyl-1-(4-methylphenyl)cycloheptan-1-amine
CID 65080008
1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine
CID 107128227
1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine
CID 63989623
1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine
CID 65081298
4-methyl-1-naphthalen-1-ylcycloheptan-1-amine
CID 65081240
1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine
CID 64515524
1-(2,3-difluoro-4-methylphenyl)-2,3-difluoro-4-methylbenzene;methylcyclohexane
CID 144602990
1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine
CID 103432752
4-methyl-1-(4-propylphenyl)cycloheptan-1-amine
CID 65081348
1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine
CID 105394080

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-4-methylcycloheptan-1-amine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-4-methylcycloheptan-1-amine (CID 107512504) is 1-(2,3-difluoro-4-methylphenyl)-4-methylcycloheptan-1-amine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-4-methylcycloheptan-1-amine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-4-methylcycloheptan-1-amine is Cc1ccc(C2(N)CCCC(C)CC2)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-4-methylcycloheptan-1-amine?
The InChIKey is VTKFENTVGXLQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-10-4-3-8-15(18,9-7-10)12-6-5-11(2)13(16)14(12)17/h5-6,10H,3-4,7-9,18H2,1-2H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-4-methylcycloheptan-1-amine?
1-(2,3-difluoro-4-methylphenyl)-4-methylcycloheptan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-4-methylcycloheptan-1-amine is sourced from PubChem (CID 107512504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).