4-[(dimethylamino)methyl]-3-(trifluoromethyl)aniline

C10H13F3N2 — CID 57431457

IUPAC4-[(dimethylamino)methyl]-3-(trifluoromethyl)aniline
SMILESCN(C)Cc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C10H13F3N2/c1-15(2)6-7-3-4-8(14)5-9(7)10(11,12)13/h3-5H,6,14H2,1-2H3
InChIKeyYXLLDVNFADYJEI-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.35
Rot. Bonds2

About 4-[(dimethylamino)methyl]-3-(trifluoromethyl)aniline

4-[(dimethylamino)methyl]-3-(trifluoromethyl)aniline (PubChem CID 57431457) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-3-(trifluoromethyl)aniline
PubChem CID57431457
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name4-[(dimethylamino)methyl]-3-(trifluoromethyl)aniline
SMILESCN(C)Cc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C10H13F3N2/c1-15(2)6-7-3-4-8(14)5-9(7)10(11,12)13/h3-5H,6,14H2,1-2H3
InChIKeyYXLLDVNFADYJEI-UHFFFAOYSA-N
XLogP2.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[(dimethylamino)methyl]-3-(trifluoromethyl)aniline (CID 57431457) is 4-[(dimethylamino)methyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[(dimethylamino)methyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[(dimethylamino)methyl]-3-(trifluoromethyl)aniline is CN(C)Cc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 4-[(dimethylamino)methyl]-3-(trifluoromethyl)aniline?
The InChIKey is YXLLDVNFADYJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-15(2)6-7-3-4-8(14)5-9(7)10(11,12)13/h3-5H,6,14H2,1-2H3.
What are the key properties of 4-[(dimethylamino)methyl]-3-(trifluoromethyl)aniline?
4-[(dimethylamino)methyl]-3-(trifluoromethyl)aniline has a molecular weight of 218.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 57431457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).