N'-methyl-N'-[(4-methylphenyl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C13H19F3N2 — CID 62574152

IUPACN'-methyl-N'-[(4-methylphenyl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCc1ccc(CN(C)CCNCC(F)(F)F)cc1
InChIInChI=1S/C13H19F3N2/c1-11-3-5-12(6-4-11)9-18(2)8-7-17-10-13(14,15)16/h3-6,17H,7-10H2,1-2H3
InChIKeyVLWVWXYAPWKQKH-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.58
Rot. Bonds6

About N'-methyl-N'-[(4-methylphenyl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-methyl-N'-[(4-methylphenyl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62574152) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N'-methyl-N'-[(4-methylphenyl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(4-methylphenyl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62574152
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC NameN'-methyl-N'-[(4-methylphenyl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCc1ccc(CN(C)CCNCC(F)(F)F)cc1
InChIInChI=1S/C13H19F3N2/c1-11-3-5-12(6-4-11)9-18(2)8-7-17-10-13(14,15)16/h3-6,17H,7-10H2,1-2H3
InChIKeyVLWVWXYAPWKQKH-UHFFFAOYSA-N
XLogP2.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-(pyridin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559877
N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 61386535
N'-methyl-N'-[(4-methylphenyl)methyl]-N-pentylethane-1,2-diamine
CID 62573254
3-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62505693
N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62557186
N-(3-ethoxypropyl)-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 62574333
N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]propane-1,3-diamine
CID 60851524
N'-methyl-N-(3-methylbutan-2-yl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 55085477
N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 570902
N'-methyl-N-(2-methylpropyl)-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 62593658
N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 62573288
N,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine
CID 63482171

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(4-methylphenyl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(4-methylphenyl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62574152) is N'-methyl-N'-[(4-methylphenyl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(4-methylphenyl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(4-methylphenyl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is Cc1ccc(CN(C)CCNCC(F)(F)F)cc1.
What is the InChIKey of N'-methyl-N'-[(4-methylphenyl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is VLWVWXYAPWKQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-11-3-5-12(6-4-11)9-18(2)8-7-17-10-13(14,15)16/h3-6,17H,7-10H2,1-2H3.
What are the key properties of N'-methyl-N'-[(4-methylphenyl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-methyl-N'-[(4-methylphenyl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 260.30 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(4-methylphenyl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62574152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).