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

C18H20F3N — CID 144539851

IUPAC3-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCc1cccc(CCCNCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H20F3N/c1-14-4-2-5-15(12-14)6-3-11-22-13-16-7-9-17(10-8-16)18(19,20)21/h2,4-5,7-10,12,22H,3,6,11,13H2,1H3
InChIKeyZTONXANQILAGJG-UHFFFAOYSA-N
MW307.36 g/mol
LogP4.74
Rot. Bonds6

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

3-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine (PubChem CID 144539851) has the molecular formula C18H20F3N and a molecular weight of 307.36 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
PubChem CID144539851
Molecular FormulaC18H20F3N
Molecular Weight307.36 g/mol
Exact Mass307.15
IUPAC Name3-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCc1cccc(CCCNCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H20F3N/c1-14-4-2-5-15(12-14)6-3-11-22-13-16-7-9-17(10-8-16)18(19,20)21/h2,4-5,7-10,12,22H,3,6,11,13H2,1H3
InChIKeyZTONXANQILAGJG-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63539979
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1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 24754485
4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
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N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine
CID 60669224
N'-tert-butyl-N-[3-(3-methylphenyl)propyl]ethane-1,2-diamine
CID 113405357
2-methyl-N-[3-(3-methylphenyl)propyl]propan-1-amine
CID 62367422
4-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 106844754
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 68700218
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of 3-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine (CID 144539851) is 3-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine is Cc1cccc(CCCNCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The InChIKey is ZTONXANQILAGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N/c1-14-4-2-5-15(12-14)6-3-11-22-13-16-7-9-17(10-8-16)18(19,20)21/h2,4-5,7-10,12,22H,3,6,11,13H2,1H3.
What are the key properties of 3-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
3-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine has a molecular weight of 307.36 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 144539851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).