1-[4-(difluoromethoxy)phenyl]-N,N-dimethylethane-1,2-diamine

C11H16F2N2O — CID 16793435

IUPAC1-[4-(difluoromethoxy)phenyl]-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CN)c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H16F2N2O/c1-15(2)10(7-14)8-3-5-9(6-4-8)16-11(12)13/h3-6,10-11H,7,14H2,1-2H3
InChIKeyRXQYVKJBOGXLRL-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.85
Rot. Bonds5

About 1-[4-(difluoromethoxy)phenyl]-N,N-dimethylethane-1,2-diamine

1-[4-(difluoromethoxy)phenyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 16793435) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N,N-dimethylethane-1,2-diamine
PubChem CID16793435
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CN)c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H16F2N2O/c1-15(2)10(7-14)8-3-5-9(6-4-8)16-11(12)13/h3-6,10-11H,7,14H2,1-2H3
InChIKeyRXQYVKJBOGXLRL-UHFFFAOYSA-N
XLogP1.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983749
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571844
1-[4-(difluoromethoxy)phenyl]-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 62983749
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79842754
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82733160
1-[4-(difluoromethoxy)phenyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 65383717
2-(aminomethyl)-1-[4-(difluoromethoxy)phenyl]butan-1-ol
CID 79135604
(1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 95443981
1-[4-(difluoromethoxy)phenyl]-3-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiourea
CID 8656417
methyl 3-amino-3-[4-(difluoromethoxy)phenyl]propanoate;hydrochloride
CID 174705729
N'-[1-[4-(difluoromethoxy)phenyl]ethyl]butane-1,4-diamine
CID 60895427
1-N,1-N-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine
CID 116905586

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N,N-dimethylethane-1,2-diamine (CID 16793435) is 1-[4-(difluoromethoxy)phenyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N,N-dimethylethane-1,2-diamine is CN(C)C(CN)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is RXQYVKJBOGXLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-15(2)10(7-14)8-3-5-9(6-4-8)16-11(12)13/h3-6,10-11H,7,14H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N,N-dimethylethane-1,2-diamine?
1-[4-(difluoromethoxy)phenyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 230.26 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 16793435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).