3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline

C16H17F3N2 — CID 43457992

IUPAC3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline
SMILESCN(Cc1cccc(N)c1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2/c1-21(11-13-5-3-7-15(20)9-13)10-12-4-2-6-14(8-12)16(17,18)19/h2-9H,10-11,20H2,1H3
InChIKeyCWOYTCANHOHNMV-UHFFFAOYSA-N
MW294.32 g/mol
LogP3.92
Rot. Bonds4

About 3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline

3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline (PubChem CID 43457992) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline.

Molecular Properties

Compound Name3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline
PubChem CID43457992
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Name3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline
SMILESCN(Cc1cccc(N)c1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2/c1-21(11-13-5-3-7-15(20)9-13)10-12-4-2-6-14(8-12)16(17,18)19/h2-9H,10-11,20H2,1H3
InChIKeyCWOYTCANHOHNMV-UHFFFAOYSA-N
XLogP3.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
N-[(3-aminophenyl)methyl]-2-fluoro-N-methyl-4-(trifluoromethyl)aniline
CID 107303897
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine
CID 163878102
N',2,2-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine;hydrochloride
CID 119928729
3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline
CID 60923207
4-[[(3-aminophenyl)methyl-methylamino]methyl]benzonitrile
CID 43457946
3-[[methyl(prop-2-enyl)amino]methyl]aniline
CID 140706213
2-chloro-3-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63388001
3-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]aniline
CID 43457980
N-methyl-1-phenyl-N-[(3-tritylphenyl)methyl]methanamine
CID 174388884

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline?
The IUPAC name of 3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline (CID 43457992) is 3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline.
What is the SMILES notation for 3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline?
The canonical SMILES for 3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline is CN(Cc1cccc(N)c1)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline?
The InChIKey is CWOYTCANHOHNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-21(11-13-5-3-7-15(20)9-13)10-12-4-2-6-14(8-12)16(17,18)19/h2-9H,10-11,20H2,1H3.
What are the key properties of 3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline?
3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline has a molecular weight of 294.32 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline is sourced from PubChem (CID 43457992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).