N-[[4-(difluoromethoxy)phenyl]methyl]-2-methylprop-2-en-1-amine

C12H15F2NO — CID 115574779

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNCc1ccc(OC(F)F)cc1
InChIInChI=1S/C12H15F2NO/c1-9(2)7-15-8-10-3-5-11(6-4-10)16-12(13)14/h3-6,12,15H,1,7-8H2,2H3
InChIKeyYZUAWMQWTZSIQK-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.95
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-methylprop-2-en-1-amine

N-[[4-(difluoromethoxy)phenyl]methyl]-2-methylprop-2-en-1-amine (PubChem CID 115574779) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-methylprop-2-en-1-amine
PubChem CID115574779
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNCc1ccc(OC(F)F)cc1
InChIInChI=1S/C12H15F2NO/c1-9(2)7-15-8-10-3-5-11(6-4-10)16-12(13)14/h3-6,12,15H,1,7-8H2,2H3
InChIKeyYZUAWMQWTZSIQK-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methylprop-2-en-1-amine
CID 114615687
N-[[4-(difluoromethoxy)phenyl]methyl]-2,2-diethoxyethanamine
CID 78910455
1-[4-(difluoromethoxy)phenyl]-N-[(3,4-difluorophenyl)methyl]methanamine
CID 28678045
1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205421
N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 20518349
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412126
3-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]benzene-1,2-diol
CID 61318661
2-[[4-(difluoromethoxy)phenyl]methylamino]-3-methoxypropan-1-ol
CID 114078765
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylsulfanylbutan-1-amine
CID 115604390
2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol
CID 134033680
5-[[4-(difluoromethoxy)phenyl]methylamino]pentanamide
CID 106234184

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methylprop-2-en-1-amine (CID 115574779) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-methylprop-2-en-1-amine is C=C(C)CNCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methylprop-2-en-1-amine?
The InChIKey is YZUAWMQWTZSIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-9(2)7-15-8-10-3-5-11(6-4-10)16-12(13)14/h3-6,12,15H,1,7-8H2,2H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methylprop-2-en-1-amine?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methylprop-2-en-1-amine has a molecular weight of 227.25 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 115574779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).