N,2-dimethyl-1-phenyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

C16H25F3N2 — CID 62619451

IUPACN,2-dimethyl-1-phenyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCN(CC(C)C(NC)c1ccccc1)CC(F)(F)F
InChIInChI=1S/C16H25F3N2/c1-4-10-21(12-16(17,18)19)11-13(2)15(20-3)14-8-6-5-7-9-14/h5-9,13,15,20H,4,10-12H2,1-3H3
InChIKeyYPFYZIASTLRKEO-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.86
Rot. Bonds8

About N,2-dimethyl-1-phenyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

N,2-dimethyl-1-phenyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62619451) has the molecular formula C16H25F3N2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N,2-dimethyl-1-phenyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-1-phenyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62619451
Molecular FormulaC16H25F3N2
Molecular Weight302.38 g/mol
Exact Mass302.20
IUPAC NameN,2-dimethyl-1-phenyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCN(CC(C)C(NC)c1ccccc1)CC(F)(F)F
InChIInChI=1S/C16H25F3N2/c1-4-10-21(12-16(17,18)19)11-13(2)15(20-3)14-8-6-5-7-9-14/h5-9,13,15,20H,4,10-12H2,1-3H3
InChIKeyYPFYZIASTLRKEO-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-N,2-dimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62618413
N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 115996806
N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
CID 62618717
N'-ethyl-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62619239
N,2-dimethyl-N'-pentyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 63495953
N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine
CID 62619073
2-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-propylamino]ethanol
CID 62618086
2-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]ethanol
CID 55098990
N,2-dimethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426117
N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine
CID 112665001
N'-ethyl-N,2,2-trimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 63195807
N-ethyl-2-phenyl-N-propylpropan-1-amine
CID 143014369

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-phenyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N,2-dimethyl-1-phenyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62619451) is N,2-dimethyl-1-phenyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-1-phenyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-1-phenyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCCN(CC(C)C(NC)c1ccccc1)CC(F)(F)F.
What is the InChIKey of N,2-dimethyl-1-phenyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is YPFYZIASTLRKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2/c1-4-10-21(12-16(17,18)19)11-13(2)15(20-3)14-8-6-5-7-9-14/h5-9,13,15,20H,4,10-12H2,1-3H3.
What are the key properties of N,2-dimethyl-1-phenyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N,2-dimethyl-1-phenyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 302.38 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-phenyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62619451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).