1-[3-(difluoromethyl)phenyl]-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine

C14H22F2N2O — CID 115526828

IUPAC1-[3-(difluoromethyl)phenyl]-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
SMILESCOCC(C)N(C)C(CN)c1cccc(C(F)F)c1
InChIInChI=1S/C14H22F2N2O/c1-10(9-19-3)18(2)13(8-17)11-5-4-6-12(7-11)14(15)16/h4-7,10,13-14H,8-9,17H2,1-3H3
InChIKeyJQSXXLRBYLGFCC-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.59
Rot. Bonds7

About 1-[3-(difluoromethyl)phenyl]-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine

1-[3-(difluoromethyl)phenyl]-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine (PubChem CID 115526828) has the molecular formula C14H22F2N2O and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)phenyl]-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-[3-(difluoromethyl)phenyl]-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
PubChem CID115526828
Molecular FormulaC14H22F2N2O
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-[3-(difluoromethyl)phenyl]-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
SMILESCOCC(C)N(C)C(CN)c1cccc(C(F)F)c1
InChIInChI=1S/C14H22F2N2O/c1-10(9-19-3)18(2)13(8-17)11-5-4-6-12(7-11)14(15)16/h4-7,10,13-14H,8-9,17H2,1-3H3
InChIKeyJQSXXLRBYLGFCC-UHFFFAOYSA-N
XLogP2.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 61453536
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 54946554
1-(furan-3-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 63208600
1-[3-(difluoromethyl)phenyl]-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 115526957
N-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 113328796
N-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 43272724
1-[4-(difluoromethyl)phenyl]-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 115524252
N-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine
CID 115526841
N-methyl-N-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107104598
N-methyl-N-pentan-3-yl-1-[3-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107104622
2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226414
1-[3-(difluoromethyl)phenyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 115526821

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)phenyl]-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-[3-(difluoromethyl)phenyl]-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine (CID 115526828) is 1-[3-(difluoromethyl)phenyl]-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-[3-(difluoromethyl)phenyl]-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-[3-(difluoromethyl)phenyl]-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine is COCC(C)N(C)C(CN)c1cccc(C(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethyl)phenyl]-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine?
The InChIKey is JQSXXLRBYLGFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O/c1-10(9-19-3)18(2)13(8-17)11-5-4-6-12(7-11)14(15)16/h4-7,10,13-14H,8-9,17H2,1-3H3.
What are the key properties of 1-[3-(difluoromethyl)phenyl]-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine?
1-[3-(difluoromethyl)phenyl]-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine has a molecular weight of 272.34 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)phenyl]-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 115526828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).