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

C16H23F3N2 — CID 62618413

IUPACN'-cyclopropyl-N,2-dimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCNC(c1ccccc1)C(C)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C16H23F3N2/c1-12(15(20-2)13-6-4-3-5-7-13)10-21(14-8-9-14)11-16(17,18)19/h3-7,12,14-15,20H,8-11H2,1-2H3
InChIKeyVUJZGDSBSRTPMM-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.61
Rot. Bonds7

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

N'-cyclopropyl-N,2-dimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62618413) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N'-cyclopropyl-N,2-dimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N,2-dimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62618413
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN'-cyclopropyl-N,2-dimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCNC(c1ccccc1)C(C)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C16H23F3N2/c1-12(15(20-2)13-6-4-3-5-7-13)10-21(14-8-9-14)11-16(17,18)19/h3-7,12,14-15,20H,8-11H2,1-2H3
InChIKeyVUJZGDSBSRTPMM-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]ethanol
CID 62618091
N,2-dimethyl-1-phenyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62619451
methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanoate
CID 64565043
N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
CID 62618717
N,N',2-trimethyl-N'-(2-methylcyclohexyl)-1-phenylpropane-1,3-diamine
CID 62618953
N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 115996833
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77044047
N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617718
N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 115996737
N'-ethyl-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62619239
N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine
CID 62619073
N,N',2-trimethyl-N'-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine
CID 63713541

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N,2-dimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N,2-dimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62618413) is N'-cyclopropyl-N,2-dimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N,2-dimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N,2-dimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CNC(c1ccccc1)C(C)CN(CC(F)(F)F)C1CC1.
What is the InChIKey of N'-cyclopropyl-N,2-dimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is VUJZGDSBSRTPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-12(15(20-2)13-6-4-3-5-7-13)10-21(14-8-9-14)11-16(17,18)19/h3-7,12,14-15,20H,8-11H2,1-2H3.
What are the key properties of N'-cyclopropyl-N,2-dimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N'-cyclopropyl-N,2-dimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 300.37 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N,2-dimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62618413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).