2-(aminomethyl)-3-chloro-4-(trifluoromethyl)aniline

C8H8ClF3N2 — CID 130881669

IUPAC2-(aminomethyl)-3-chloro-4-(trifluoromethyl)aniline
SMILESNCc1c(N)ccc(C(F)(F)F)c1Cl
InChIInChI=1S/C8H8ClF3N2/c9-7-4(3-13)6(14)2-1-5(7)8(10,11)12/h1-2H,3,13-14H2
InChIKeyGVMUBGAEHXWWTA-UHFFFAOYSA-N
MW224.61 g/mol
LogP2.40
Rot. Bonds1

About 2-(aminomethyl)-3-chloro-4-(trifluoromethyl)aniline

2-(aminomethyl)-3-chloro-4-(trifluoromethyl)aniline (PubChem CID 130881669) has the molecular formula C8H8ClF3N2 and a molecular weight of 224.61 g/mol. Its IUPAC name is 2-(aminomethyl)-3-chloro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-3-chloro-4-(trifluoromethyl)aniline
PubChem CID130881669
Molecular FormulaC8H8ClF3N2
Molecular Weight224.61 g/mol
Exact Mass224.03
IUPAC Name2-(aminomethyl)-3-chloro-4-(trifluoromethyl)aniline
SMILESNCc1c(N)ccc(C(F)(F)F)c1Cl
InChIInChI=1S/C8H8ClF3N2/c9-7-4(3-13)6(14)2-1-5(7)8(10,11)12/h1-2H,3,13-14H2
InChIKeyGVMUBGAEHXWWTA-UHFFFAOYSA-N
XLogP2.40
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-2-chloro-amphetamine
CID 10081101
4-(Aminomethyl)-3-chloroaniline
CID 62946364
3-Chloro-4-(trifluoromethyl)aniline
CID 67962
4-(Aminomethyl)-2-(trifluoromethyl)aniline
CID 55255909
4-Amino-2-chloro-3-methylbenzonitrile
CID 21875413
2-(Aminomethyl)-3-chloroaniline
CID 13702390
2'-Chloro-5-(trifluoromethyl)-[1,1'-biphenyl]-2-amine
CID 172295220
2-(Aminomethyl)-3-chloroaniline dihydrochloride
CID 145711437
3-Chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline
CID 9860954
5-Chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylaniline
CID 12115462
3-Chloro-4-(difluoromethyl)aniline
CID 12850613
3-Chloro-2-(trifluoromethyl)aniline
CID 13750442

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-chloro-4-(trifluoromethyl)aniline?
The IUPAC name of 2-(aminomethyl)-3-chloro-4-(trifluoromethyl)aniline (CID 130881669) is 2-(aminomethyl)-3-chloro-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-3-chloro-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-3-chloro-4-(trifluoromethyl)aniline is NCc1c(N)ccc(C(F)(F)F)c1Cl.
What is the InChIKey of 2-(aminomethyl)-3-chloro-4-(trifluoromethyl)aniline?
The InChIKey is GVMUBGAEHXWWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2/c9-7-4(3-13)6(14)2-1-5(7)8(10,11)12/h1-2H,3,13-14H2.
What are the key properties of 2-(aminomethyl)-3-chloro-4-(trifluoromethyl)aniline?
2-(aminomethyl)-3-chloro-4-(trifluoromethyl)aniline has a molecular weight of 224.61 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-chloro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 130881669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).