1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine

C14H19F2N — CID 114931200

IUPAC1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C14H19F2N/c1-10-5-7-14(17,8-6-10)9-11-12(15)3-2-4-13(11)16/h2-4,10H,5-9,17H2,1H3
InChIKeyCWWIPUALSMGKAX-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.41
Rot. Bonds2

About 1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine

1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 114931200) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
PubChem CID114931200
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C14H19F2N/c1-10-5-7-14(17,8-6-10)9-11-12(15)3-2-4-13(11)16/h2-4,10H,5-9,17H2,1H3
InChIKeyCWWIPUALSMGKAX-UHFFFAOYSA-N
XLogP3.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine (CID 114931200) is 1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine is CC1CCC(N)(Cc2c(F)cccc2F)CC1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is CWWIPUALSMGKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-10-5-7-14(17,8-6-10)9-11-12(15)3-2-4-13(11)16/h2-4,10H,5-9,17H2,1H3.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine?
1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 114931200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).