1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine

C15H22F2N2O2 — CID 82733160

IUPAC1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
SMILESCC1OCCC1N(C)C(CN)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H22F2N2O2/c1-10-13(7-8-20-10)19(2)14(9-18)11-3-5-12(6-4-11)21-15(16)17/h3-6,10,13-15H,7-9,18H2,1-2H3
InChIKeyUNKRSAJQAOODBA-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.40
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine

1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine (PubChem CID 82733160) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
PubChem CID82733160
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
SMILESCC1OCCC1N(C)C(CN)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H22F2N2O2/c1-10-13(7-8-20-10)19(2)14(9-18)11-3-5-12(6-4-11)21-15(16)17/h3-6,10,13-15H,7-9,18H2,1-2H3
InChIKeyUNKRSAJQAOODBA-UHFFFAOYSA-N
XLogP2.40
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 82734785
N-methyl-N-(2-methyloxolan-3-yl)-1-naphthalen-2-ylethane-1,2-diamine
CID 82732716
1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 114937259
1-[4-(difluoromethoxy)phenyl]-N,N-dimethylethane-1,2-diamine
CID 16793435
N-methyl-N-(2-methyloxolan-3-yl)-1-pyridin-3-ylethane-1,2-diamine
CID 82732511
1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine
CID 82733107
1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 114843364
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571844
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983749
(2S,3R)-3-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfonyl-2-methyloxolane
CID 124868221
N-methyl-N-(2-methyloxolan-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 82734575
1-[4-(difluoromethoxy)phenyl]-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 62983749

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine (CID 82733160) is 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine is CC1OCCC1N(C)C(CN)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The InChIKey is UNKRSAJQAOODBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-10-13(7-8-20-10)19(2)14(9-18)11-3-5-12(6-4-11)21-15(16)17/h3-6,10,13-15H,7-9,18H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine?
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine has a molecular weight of 300.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 82733160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).