N-[[3-(difluoromethyl)-2-methylphenyl]methyl]prop-1-en-2-amine

C12H15F2N — CID 166548662

IUPACN-[[3-(difluoromethyl)-2-methylphenyl]methyl]prop-1-en-2-amine
SMILESC=C(C)NCc1cccc(C(F)F)c1C
InChIInChI=1S/C12H15F2N/c1-8(2)15-7-10-5-4-6-11(9(10)3)12(13)14/h4-6,12,15H,1,7H2,2-3H3
InChIKeyVVNUBOZSMPEKMB-UHFFFAOYSA-N
MW211.25 g/mol
LogP3.56
Rot. Bonds4

About N-[[3-(difluoromethyl)-2-methylphenyl]methyl]prop-1-en-2-amine

N-[[3-(difluoromethyl)-2-methylphenyl]methyl]prop-1-en-2-amine (PubChem CID 166548662) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)-2-methylphenyl]methyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)-2-methylphenyl]methyl]prop-1-en-2-amine
PubChem CID166548662
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC NameN-[[3-(difluoromethyl)-2-methylphenyl]methyl]prop-1-en-2-amine
SMILESC=C(C)NCc1cccc(C(F)F)c1C
InChIInChI=1S/C12H15F2N/c1-8(2)15-7-10-5-4-6-11(9(10)3)12(13)14/h4-6,12,15H,1,7H2,2-3H3
InChIKeyVVNUBOZSMPEKMB-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)-2-methylphenyl]methyl]prop-1-en-2-amine?
The IUPAC name of N-[[3-(difluoromethyl)-2-methylphenyl]methyl]prop-1-en-2-amine (CID 166548662) is N-[[3-(difluoromethyl)-2-methylphenyl]methyl]prop-1-en-2-amine.
What is the SMILES notation for N-[[3-(difluoromethyl)-2-methylphenyl]methyl]prop-1-en-2-amine?
The canonical SMILES for N-[[3-(difluoromethyl)-2-methylphenyl]methyl]prop-1-en-2-amine is C=C(C)NCc1cccc(C(F)F)c1C.
What is the InChIKey of N-[[3-(difluoromethyl)-2-methylphenyl]methyl]prop-1-en-2-amine?
The InChIKey is VVNUBOZSMPEKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-8(2)15-7-10-5-4-6-11(9(10)3)12(13)14/h4-6,12,15H,1,7H2,2-3H3.
What are the key properties of N-[[3-(difluoromethyl)-2-methylphenyl]methyl]prop-1-en-2-amine?
N-[[3-(difluoromethyl)-2-methylphenyl]methyl]prop-1-en-2-amine has a molecular weight of 211.25 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)-2-methylphenyl]methyl]prop-1-en-2-amine is sourced from PubChem (CID 166548662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).