2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine

C13H14F3N3 — CID 10825833

IUPAC2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine
SMILESCC(CN)Nc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C13H14F3N3/c1-8(7-17)19-11-4-5-18-12-6-9(13(14,15)16)2-3-10(11)12/h2-6,8H,7,17H2,1H3,(H,18,19)
InChIKeyXGODWLNTVVEQPY-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.01
Rot. Bonds3

About 2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine

2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine (PubChem CID 10825833) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine
PubChem CID10825833
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine
SMILESCC(CN)Nc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C13H14F3N3/c1-8(7-17)19-11-4-5-18-12-6-9(13(14,15)16)2-3-10(11)12/h2-6,8H,7,17H2,1H3,(H,18,19)
InChIKeyXGODWLNTVVEQPY-UHFFFAOYSA-N
XLogP3.01
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[7-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 15585954
trans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine
CID 10625318
N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide
CID 86802912
2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide
CID 133402575
N-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133402646
2,6-bis(diethylaminomethyl)-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenol
CID 10096462
1-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone;hydrochloride
CID 90485767
N,N'-dimethyl-N'-propan-2-yl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine
CID 177479384
N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride
CID 21433856
3-N-quinolin-4-ylbutane-1,3-diamine
CID 83179618
1-N,1-N-diethyl-2-N-(7-fluoroquinolin-4-yl)propane-1,2-diamine
CID 10778800
N-(2-adamantyl)-7-(trifluoromethyl)quinolin-4-amine
CID 175308756

Frequently Asked Questions

What is the IUPAC name of 2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine?
The IUPAC name of 2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine (CID 10825833) is 2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine?
The canonical SMILES for 2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine is CC(CN)Nc1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of 2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine?
The InChIKey is XGODWLNTVVEQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-8(7-17)19-11-4-5-18-12-6-9(13(14,15)16)2-3-10(11)12/h2-6,8H,7,17H2,1H3,(H,18,19).
What are the key properties of 2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine?
2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine has a molecular weight of 269.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine is sourced from PubChem (CID 10825833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).