N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]propane-1,3-diamine

C14H21F3N2 — CID 58366998

IUPACN,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]propane-1,3-diamine
SMILESCc1cc(N(C)CCCN(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C14H21F3N2/c1-11-8-12(14(15,16)17)10-13(9-11)19(4)7-5-6-18(2)3/h8-10H,5-7H2,1-4H3
InChIKeyROCQAAUYRVZGHI-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.40
Rot. Bonds5

About N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]propane-1,3-diamine (PubChem CID 58366998) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]propane-1,3-diamine
PubChem CID58366998
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC NameN,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]propane-1,3-diamine
SMILESCc1cc(N(C)CCCN(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C14H21F3N2/c1-11-8-12(14(15,16)17)10-13(9-11)19(4)7-5-6-18(2)3/h8-10H,5-7H2,1-4H3
InChIKeyROCQAAUYRVZGHI-UHFFFAOYSA-N
XLogP3.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]propane-1,3-diamine (CID 58366998) is N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]propane-1,3-diamine is Cc1cc(N(C)CCCN(C)C)cc(C(F)(F)F)c1.
What is the InChIKey of N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]propane-1,3-diamine?
The InChIKey is ROCQAAUYRVZGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-11-8-12(14(15,16)17)10-13(9-11)19(4)7-5-6-18(2)3/h8-10H,5-7H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]propane-1,3-diamine has a molecular weight of 274.33 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]propane-1,3-diamine is sourced from PubChem (CID 58366998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).