N'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine

C12H17F3N2 — CID 62682731

IUPACN'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine
SMILESCC(c1ccc(C(F)(F)F)cc1)N(C)CCN
InChIInChI=1S/C12H17F3N2/c1-9(17(2)8-7-16)10-3-5-11(6-4-10)12(13,14)15/h3-6,9H,7-8,16H2,1-2H3
InChIKeyPSJRPINHMHASMC-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.66
Rot. Bonds4

About N'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine

N'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine (PubChem CID 62682731) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is N'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine
PubChem CID62682731
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC NameN'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine
SMILESCC(c1ccc(C(F)(F)F)cc1)N(C)CCN
InChIInChI=1S/C12H17F3N2/c1-9(17(2)8-7-16)10-3-5-11(6-4-10)12(13,14)15/h3-6,9H,7-8,16H2,1-2H3
InChIKeyPSJRPINHMHASMC-UHFFFAOYSA-N
XLogP2.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[1-[4-(dimethylamino)phenyl]ethyl]-N'-methylethane-1,2-diamine
CID 62682189
N-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine
CID 143698340
2-methyl-3-[methyl-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoic acid
CID 65071606
N'-[1-(3-bromo-4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62915186
N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
N'-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693245
N-(2-methoxyethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 61427131
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62682391
(1S)-1-[4-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171218575
N'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 169111183
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587
1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene
CID 97006533

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine (CID 62682731) is N'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine is CC(c1ccc(C(F)(F)F)cc1)N(C)CCN.
What is the InChIKey of N'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine?
The InChIKey is PSJRPINHMHASMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-9(17(2)8-7-16)10-3-5-11(6-4-10)12(13,14)15/h3-6,9H,7-8,16H2,1-2H3.
What are the key properties of N'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine?
N'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine has a molecular weight of 246.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62682731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).