methyl N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]carbamate

C10H11F3N2O2 — CID 112556113

IUPACmethyl N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C10H11F3N2O2/c1-17-9(16)15-8-3-2-7(10(11,12)13)4-6(8)5-14/h2-4H,5,14H2,1H3,(H,15,16)
InChIKeyWGGIKEGPQXFBDR-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.34
Rot. Bonds2

About methyl N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]carbamate

methyl N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]carbamate (PubChem CID 112556113) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is methyl N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]carbamate
PubChem CID112556113
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Namemethyl N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C10H11F3N2O2/c1-17-9(16)15-8-3-2-7(10(11,12)13)4-6(8)5-14/h2-4H,5,14H2,1H3,(H,15,16)
InChIKeyWGGIKEGPQXFBDR-UHFFFAOYSA-N
XLogP2.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 115911072
1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-3-propylurea
CID 112556111
2-(aminomethyl)-N-propan-2-yl-4-(trifluoromethyl)aniline
CID 62103801
N-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine
CID 171931128
(2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)phenyl]methylsulfanyl]propanoic acid
CID 70159348
2-(aminomethyl)-N-(tert-butylsulfamoyl)-4-(trifluoromethyl)aniline
CID 114804120
2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline
CID 114813987
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
tert-butyl N-[[2-amino-5-(trifluoromethyl)phenyl]methyl]carbamate
CID 171666541
tert-butyl N-[2-iodo-5-(trifluoromethyl)phenyl]carbamate
CID 121016303
3,3,3-triiodopropyl N-[2-methoxy-5-(trifluoromethyl)phenyl]carbamate
CID 71169167
4-acetamido-3-(aminomethyl)benzoic acid
CID 19359198

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of methyl N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]carbamate (CID 112556113) is methyl N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for methyl N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]carbamate is COC(=O)Nc1ccc(C(F)(F)F)cc1CN.
What is the InChIKey of methyl N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]carbamate?
The InChIKey is WGGIKEGPQXFBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-17-9(16)15-8-3-2-7(10(11,12)13)4-6(8)5-14/h2-4H,5,14H2,1H3,(H,15,16).
What are the key properties of methyl N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]carbamate?
methyl N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]carbamate has a molecular weight of 248.20 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 112556113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).