1-(2-methoxyphenyl)-N-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C12H17F3N2O — CID 60890601

IUPAC1-(2-methoxyphenyl)-N-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCOc1ccccc1C(CN)N(C)CC(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-17(8-12(13,14)15)10(7-16)9-5-3-4-6-11(9)18-2/h3-6,10H,7-8,16H2,1-2H3
InChIKeyQTMHCDLWROYTOV-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.19
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

1-(2-methoxyphenyl)-N-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 60890601) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID60890601
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name1-(2-methoxyphenyl)-N-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCOc1ccccc1C(CN)N(C)CC(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-17(8-12(13,14)15)10(7-16)9-5-3-4-6-11(9)18-2/h3-6,10H,7-8,16H2,1-2H3
InChIKeyQTMHCDLWROYTOV-UHFFFAOYSA-N
XLogP2.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 60984762
N-butan-2-yl-N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 43274304
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 61413987
N-methyl-N-pentyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 43294611
N,N-bis(2-methoxyethyl)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 60709829
1-(2-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 43187219
N-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 61415283
(1S)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 171219989
(1R)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 171200452
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
1-[2-(difluoromethoxy)phenyl]-N-methyl-N-pentylethane-1,2-diamine
CID 43294708
N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 43822937

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 60890601) is 1-(2-methoxyphenyl)-N-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is COc1ccccc1C(CN)N(C)CC(F)(F)F.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is QTMHCDLWROYTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-17(8-12(13,14)15)10(7-16)9-5-3-4-6-11(9)18-2/h3-6,10H,7-8,16H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
1-(2-methoxyphenyl)-N-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 262.27 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 60890601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).