N,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine

C18H20F3N — CID 170865959

IUPACN,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine
SMILESCN(C)CCCc1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H20F3N/c1-22(2)12-4-5-14-8-10-15(11-9-14)16-6-3-7-17(13-16)18(19,20)21/h3,6-11,13H,4-5,12H2,1-2H3
InChIKeyLONQIIWMASSKPQ-UHFFFAOYSA-N
MW307.36 g/mol
LogP4.87
Rot. Bonds5

About N,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine

N,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine (PubChem CID 170865959) has the molecular formula C18H20F3N and a molecular weight of 307.36 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine
PubChem CID170865959
Molecular FormulaC18H20F3N
Molecular Weight307.36 g/mol
Exact Mass307.15
IUPAC NameN,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine
SMILESCN(C)CCCc1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H20F3N/c1-22(2)12-4-5-14-8-10-15(11-9-14)16-6-3-7-17(13-16)18(19,20)21/h3,6-11,13H,4-5,12H2,1-2H3
InChIKeyLONQIIWMASSKPQ-UHFFFAOYSA-N
XLogP4.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 10683160
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 91610944
N,N-dimethyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-amine
CID 170866049
3-[4-(4-chloro-3-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 170866005
3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170887677
N,N-dimethyl-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]ethanamine
CID 126470020
N',N'-diethyl-N-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
CID 143241854
N,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline
CID 118830034
N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine
CID 58563398
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
1-hexyl-3-[4-(trifluoromethyl)phenyl]benzene
CID 91286869

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine (CID 170865959) is N,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine is CN(C)CCCc1ccc(-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine?
The InChIKey is LONQIIWMASSKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N/c1-22(2)12-4-5-14-8-10-15(11-9-14)16-6-3-7-17(13-16)18(19,20)21/h3,6-11,13H,4-5,12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine?
N,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine has a molecular weight of 307.36 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine is sourced from PubChem (CID 170865959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).