N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine

C13H18ClF3N2 — CID 58367088

IUPACN'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCc1cc(N(C)CCN(C)C)c(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H18ClF3N2/c1-9-7-10(13(15,16)17)12(14)11(8-9)19(4)6-5-18(2)3/h7-8H,5-6H2,1-4H3
InChIKeyBSWDZGSCWAHZAT-UHFFFAOYSA-N
MW294.75 g/mol
LogP3.67
Rot. Bonds4

About N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 58367088) has the molecular formula C13H18ClF3N2 and a molecular weight of 294.75 g/mol. Its IUPAC name is N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID58367088
Molecular FormulaC13H18ClF3N2
Molecular Weight294.75 g/mol
Exact Mass294.11
IUPAC NameN'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCc1cc(N(C)CCN(C)C)c(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H18ClF3N2/c1-9-7-10(13(15,16)17)12(14)11(8-9)19(4)6-5-18(2)3/h7-8H,5-6H2,1-4H3
InChIKeyBSWDZGSCWAHZAT-UHFFFAOYSA-N
XLogP3.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine (CID 58367088) is N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine is Cc1cc(N(C)CCN(C)C)c(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is BSWDZGSCWAHZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3N2/c1-9-7-10(13(15,16)17)12(14)11(8-9)19(4)6-5-18(2)3/h7-8H,5-6H2,1-4H3.
What are the key properties of N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 294.75 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 58367088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).