[4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine

C17H15F3N2 — CID 83968569

IUPAC[4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine
SMILESNCc1ccc(Cn2ccc3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C17H15F3N2/c18-17(19,20)15-5-6-16-14(9-15)7-8-22(16)11-13-3-1-12(10-21)2-4-13/h1-9H,10-11,21H2
InChIKeyXZSXRICHSKFFIJ-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.17
Rot. Bonds3

About [4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine

[4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine (PubChem CID 83968569) has the molecular formula C17H15F3N2 and a molecular weight of 304.32 g/mol. Its IUPAC name is [4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine
PubChem CID83968569
Molecular FormulaC17H15F3N2
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name[4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine
SMILESNCc1ccc(Cn2ccc3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C17H15F3N2/c18-17(19,20)15-5-6-16-14(9-15)7-8-22(16)11-13-3-1-12(10-21)2-4-13/h1-9H,10-11,21H2
InChIKeyXZSXRICHSKFFIJ-UHFFFAOYSA-N
XLogP4.17
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole
CID 116619723
[4-(indol-1-ylmethyl)phenyl]methanamine
CID 43134818
1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide
CID 171342626
6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole
CID 116546655
6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile
CID 118427625
1-[(4-tert-butylphenyl)methyl]-5-ethylindole
CID 110831210
[1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine
CID 79709523
3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine
CID 170867983
1-benzyl-6-[4-(trifluoromethyl)phenyl]indole
CID 22032920
[4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine
CID 63850276
1-[(4-tert-butylphenyl)methyl]-5-(3-methoxyphenyl)indole
CID 22032965
4-ethenyl-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile
CID 118427632

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine?
The IUPAC name of [4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine (CID 83968569) is [4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine is NCc1ccc(Cn2ccc3cc(C(F)(F)F)ccc32)cc1.
What is the InChIKey of [4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine?
The InChIKey is XZSXRICHSKFFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2/c18-17(19,20)15-5-6-16-14(9-15)7-8-22(16)11-13-3-1-12(10-21)2-4-13/h1-9H,10-11,21H2.
What are the key properties of [4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine?
[4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine has a molecular weight of 304.32 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 83968569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).