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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Related Compounds

1-[3-(difluoromethyl)-2-methylphenyl]ethanone
CID 138750714
N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylpropanamide
CID 177158170
3-(difluoromethyl)-N,2-dimethylaniline;ethane
CID 169181895
[8-(difluoromethyl)naphthalen-1-yl]methanol
CID 118847242
(3E,9E)-N-[[3-(difluoromethyl)-2-methylphenyl]methyl]-14-[1-(dimethylamino)ethenyl]-7-methyl-2,6,8-triazatricyclo[12.2.2.04,9]octadeca-3,5,7,9-tetraen-5-amine
CID 170064036
1-[(3-amino-2-methylphenyl)methyl]-3-propan-2-ylurea
CID 103110640
1-N-(naphthalen-1-ylmethyl)-1-N'-propan-2-ylethene-1,1-diamine
CID 122547209
2-[6-[[3-(difluoromethyl)-2-methylphenyl]methylamino]-5-(1,3-dioxolan-2-yl)-2-methylpyrimidin-4-yl]-N-(1-methylcyclopropyl)acetamide
CID 155743686
(5E,6E)-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-6-ethylidene-5-(2-fluoroprop-2-enylidene)-2-methylpyrimidin-4-amine
CID 156726457
[2-[bis(sulfanyl)methyl]phenyl]methylcarbamic acid
CID 88834702
2-(difluoromethyl)-1-methylnaphthalene;ethane
CID 142518689
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide
CID 113000636

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).