3-(2,6-difluoro-3-methylphenyl)cyclohept-2-en-1-amine

C14H17F2N — CID 107383018

IUPAC3-(2,6-difluoro-3-methylphenyl)cyclohept-2-en-1-amine
SMILESCc1ccc(F)c(C2=CC(N)CCCC2)c1F
InChIInChI=1S/C14H17F2N/c1-9-6-7-12(15)13(14(9)16)10-4-2-3-5-11(17)8-10/h6-8,11H,2-5,17H2,1H3
InChIKeyYAZZXNWKROERRR-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.56
Rot. Bonds1

About 3-(2,6-difluoro-3-methylphenyl)cyclohept-2-en-1-amine

3-(2,6-difluoro-3-methylphenyl)cyclohept-2-en-1-amine (PubChem CID 107383018) has the molecular formula C14H17F2N and a molecular weight of 237.29 g/mol. Its IUPAC name is 3-(2,6-difluoro-3-methylphenyl)cyclohept-2-en-1-amine.

Molecular Properties

Compound Name3-(2,6-difluoro-3-methylphenyl)cyclohept-2-en-1-amine
PubChem CID107383018
Molecular FormulaC14H17F2N
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC Name3-(2,6-difluoro-3-methylphenyl)cyclohept-2-en-1-amine
SMILESCc1ccc(F)c(C2=CC(N)CCCC2)c1F
InChIInChI=1S/C14H17F2N/c1-9-6-7-12(15)13(14(9)16)10-4-2-3-5-11(17)8-10/h6-8,11H,2-5,17H2,1H3
InChIKeyYAZZXNWKROERRR-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-3-methylphenyl)cyclohept-2-en-1-amine?
The IUPAC name of 3-(2,6-difluoro-3-methylphenyl)cyclohept-2-en-1-amine (CID 107383018) is 3-(2,6-difluoro-3-methylphenyl)cyclohept-2-en-1-amine.
What is the SMILES notation for 3-(2,6-difluoro-3-methylphenyl)cyclohept-2-en-1-amine?
The canonical SMILES for 3-(2,6-difluoro-3-methylphenyl)cyclohept-2-en-1-amine is Cc1ccc(F)c(C2=CC(N)CCCC2)c1F.
What is the InChIKey of 3-(2,6-difluoro-3-methylphenyl)cyclohept-2-en-1-amine?
The InChIKey is YAZZXNWKROERRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N/c1-9-6-7-12(15)13(14(9)16)10-4-2-3-5-11(17)8-10/h6-8,11H,2-5,17H2,1H3.
What are the key properties of 3-(2,6-difluoro-3-methylphenyl)cyclohept-2-en-1-amine?
3-(2,6-difluoro-3-methylphenyl)cyclohept-2-en-1-amine has a molecular weight of 237.29 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-3-methylphenyl)cyclohept-2-en-1-amine is sourced from PubChem (CID 107383018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).