1-N,1-N-dimethyl-2-N-propyl-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine

C15H23F3N2 — CID 79093607

IUPAC1-N,1-N-dimethyl-2-N-propyl-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
SMILESCCCNC(Cc1cccc(C(F)(F)F)c1)CN(C)C
InChIInChI=1S/C15H23F3N2/c1-4-8-19-14(11-20(2)3)10-12-6-5-7-13(9-12)15(16,17)18/h5-7,9,14,19H,4,8,10-11H2,1-3H3
InChIKeyIZUYLFNKSKVVFL-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.18
Rot. Bonds7

About 1-N,1-N-dimethyl-2-N-propyl-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine

1-N,1-N-dimethyl-2-N-propyl-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine (PubChem CID 79093607) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-propyl-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-propyl-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
PubChem CID79093607
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name1-N,1-N-dimethyl-2-N-propyl-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
SMILESCCCNC(Cc1cccc(C(F)(F)F)c1)CN(C)C
InChIInChI=1S/C15H23F3N2/c1-4-8-19-14(11-20(2)3)10-12-6-5-7-13(9-12)15(16,17)18/h5-7,9,14,19H,4,8,10-11H2,1-3H3
InChIKeyIZUYLFNKSKVVFL-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 63412549
4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 63890032
1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62605208
3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 115831156
N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 62698331
N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 60996965
3-(3,5-dimethylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79089402
3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 115831160
2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093303
N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62603541
N-ethyl-1-propan-2-ylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 65131790
N-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron
CID 175261981

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-propyl-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-propyl-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine (CID 79093607) is 1-N,1-N-dimethyl-2-N-propyl-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-propyl-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-propyl-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine is CCCNC(Cc1cccc(C(F)(F)F)c1)CN(C)C.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-propyl-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine?
The InChIKey is IZUYLFNKSKVVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2/c1-4-8-19-14(11-20(2)3)10-12-6-5-7-13(9-12)15(16,17)18/h5-7,9,14,19H,4,8,10-11H2,1-3H3.
What are the key properties of 1-N,1-N-dimethyl-2-N-propyl-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine?
1-N,1-N-dimethyl-2-N-propyl-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine has a molecular weight of 288.36 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-propyl-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine is sourced from PubChem (CID 79093607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).