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

C14H20ClF3N2 — CID 58366359

IUPACN'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCc1cc(N(C)CCCN(C)C)c(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H20ClF3N2/c1-10-8-11(14(16,17)18)13(15)12(9-10)20(4)7-5-6-19(2)3/h8-9H,5-7H2,1-4H3
InChIKeyMOERLXLOYUOBKG-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.06
Rot. Bonds5

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

N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 58366359) has the molecular formula C14H20ClF3N2 and a molecular weight of 308.78 g/mol. Its IUPAC name is N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID58366359
Molecular FormulaC14H20ClF3N2
Molecular Weight308.78 g/mol
Exact Mass308.13
IUPAC NameN'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCc1cc(N(C)CCCN(C)C)c(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H20ClF3N2/c1-10-8-11(14(16,17)18)13(15)12(9-10)20(4)7-5-6-19(2)3/h8-9H,5-7H2,1-4H3
InChIKeyMOERLXLOYUOBKG-UHFFFAOYSA-N
XLogP4.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Chloro-3-ethylphenyl)-4-methylpiperazine
CID 155533824
2-chloro-N-propyl-5-(trifluoromethyl)aniline
CID 18322289
1-(2-Chloro-5-trifluoromethyl-phenyl)-4-propyl-piperazine
CID 22345157
4-chloro-1-N,1-N,3-N,3-N-tetramethyl-5-(trifluoromethyl)benzene-1,3-diamine
CID 23135543
Benzenamine, 2-chloro-N-(1-methylethyl)-5-(trifluoromethyl)-
CID 28105411
[2-Chloro-5-(trifluoromethyl)phenyl]ethylamine
CID 28432616
2-chloro-3-methyl-1-N,1-N-dipropyl-5-(trifluoromethyl)benzene-1,4-diamine
CID 57072274
5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline
CID 57839356
1-[2-Chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-methyl-1,4-diazepane
CID 58366487
2-chloro-5-methyl-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)aniline
CID 58366886
N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 58366998
1-[2-Chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-methylpiperazine
CID 58367044

Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 58366359) is N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine is Cc1cc(N(C)CCCN(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'-trimethylpropane-1,3-diamine?
The InChIKey is MOERLXLOYUOBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClF3N2/c1-10-8-11(14(16,17)18)13(15)12(9-10)20(4)7-5-6-19(2)3/h8-9H,5-7H2,1-4H3.
What are the key properties of N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 308.78 g/mol, XLogP of 4.06, 5 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'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 58366359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).