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

C19H23F3N2 — CID 70532462

IUPACN,N',N'-trimethyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
SMILESCN(C)CCC(c1ccccc1)N(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H23F3N2/c1-23(2)13-12-18(15-8-5-4-6-9-15)24(3)17-11-7-10-16(14-17)19(20,21)22/h4-11,14,18H,12-13H2,1-3H3
InChIKeyKPHYBDLLEAUSGE-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.83
Rot. Bonds6

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

N,N',N'-trimethyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]propane-1,3-diamine (PubChem CID 70532462) has the molecular formula C19H23F3N2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N,N',N'-trimethyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N',N'-trimethyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
PubChem CID70532462
Molecular FormulaC19H23F3N2
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC NameN,N',N'-trimethyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
SMILESCN(C)CCC(c1ccccc1)N(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H23F3N2/c1-23(2)13-12-18(15-8-5-4-6-9-15)24(3)17-11-7-10-16(14-17)19(20,21)22/h4-11,14,18H,12-13H2,1-3H3
InChIKeyKPHYBDLLEAUSGE-UHFFFAOYSA-N
XLogP4.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 91610944
2-[N-methyl-3-(trifluoromethyl)anilino]ethanol
CID 117029243
N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane
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2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029
2-[2-(dimethylamino)ethylamino]-2-[3-(trifluoromethyl)phenyl]ethanol
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N-methyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
CID 59711097
N-but-2-enyl-2-chloro-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54049845
2-[2-(dimethylamino)ethylamino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4881044
N-methyl-N-[3-(trifluoromethyl)phenyl]formamide
CID 162541615
2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 43802593
2-[N-propyl-3-(trifluoromethyl)anilino]propanoic acid
CID 133150394
1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene
CID 124554901

Frequently Asked Questions

What is the IUPAC name of N,N',N'-trimethyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
The IUPAC name of N,N',N'-trimethyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]propane-1,3-diamine (CID 70532462) is N,N',N'-trimethyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]propane-1,3-diamine.
What is the SMILES notation for N,N',N'-trimethyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
The canonical SMILES for N,N',N'-trimethyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]propane-1,3-diamine is CN(C)CCC(c1ccccc1)N(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N',N'-trimethyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
The InChIKey is KPHYBDLLEAUSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2/c1-23(2)13-12-18(15-8-5-4-6-9-15)24(3)17-11-7-10-16(14-17)19(20,21)22/h4-11,14,18H,12-13H2,1-3H3.
What are the key properties of N,N',N'-trimethyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
N,N',N'-trimethyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]propane-1,3-diamine has a molecular weight of 336.40 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-trimethyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]propane-1,3-diamine is sourced from PubChem (CID 70532462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).