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

C17H18F3N — CID 18544546

IUPACN-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCNCCC(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N/c1-21-12-11-16(13-5-3-2-4-6-13)14-7-9-15(10-8-14)17(18,19)20/h2-10,16,21H,11-12H2,1H3
InChIKeyQRHFACQXSLUWFC-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.45
Rot. Bonds5

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

N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 18544546) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID18544546
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC NameN-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCNCCC(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N/c1-21-12-11-16(13-5-3-2-4-6-13)14-7-9-15(10-8-14)17(18,19)20/h2-10,16,21H,11-12H2,1H3
InChIKeyQRHFACQXSLUWFC-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride
CID 44669843
N,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 112509139
(Z)-but-2-enedioic acid;N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 11281720
N-methyl-3-[4-(trifluoromethyl)phenoxy]-3-(3-tritiophenyl)propan-1-amine
CID 11758740
(1R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 10268969
N-deuterio-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 138402735
ethane;N-methyl-4,4-diphenylbutan-1-amine
CID 142989405
(2R)-N-methyl-2-[[(3S)-3-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide;hydrochloride
CID 69041206
1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 89021612
(2R)-2-[[(3R)-3-(3-chloro-4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69042344
(2R)-2-[[(3R)-3-(3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69043257

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine (CID 18544546) is N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine is CNCCC(c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is QRHFACQXSLUWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-21-12-11-16(13-5-3-2-4-6-13)14-7-9-15(10-8-14)17(18,19)20/h2-10,16,21H,11-12H2,1H3.
What are the key properties of N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 293.33 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 18544546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).