2-(aminomethyl)-N-propan-2-yl-4-(trifluoromethyl)aniline

C11H15F3N2 — CID 62103801

IUPAC2-(aminomethyl)-N-propan-2-yl-4-(trifluoromethyl)aniline
SMILESCC(C)Nc1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C11H15F3N2/c1-7(2)16-10-4-3-9(11(12,13)14)5-8(10)6-15/h3-5,7,16H,6,15H2,1-2H3
InChIKeyPIPAUPIPQWXGPE-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.98
Rot. Bonds3

About 2-(aminomethyl)-N-propan-2-yl-4-(trifluoromethyl)aniline

2-(aminomethyl)-N-propan-2-yl-4-(trifluoromethyl)aniline (PubChem CID 62103801) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-(aminomethyl)-N-propan-2-yl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-propan-2-yl-4-(trifluoromethyl)aniline
PubChem CID62103801
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name2-(aminomethyl)-N-propan-2-yl-4-(trifluoromethyl)aniline
SMILESCC(C)Nc1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C11H15F3N2/c1-7(2)16-10-4-3-9(11(12,13)14)5-8(10)6-15/h3-5,7,16H,6,15H2,1-2H3
InChIKeyPIPAUPIPQWXGPE-UHFFFAOYSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline
CID 114813987
2-(aminomethyl)-N-(tert-butylsulfamoyl)-4-(trifluoromethyl)aniline
CID 114804120
[2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine
CID 68512051
methyl N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]carbamate
CID 112556113
N-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine
CID 171931128
[2-methylsulfanyl-4-(trifluoromethyl)phenyl]methanamine
CID 162349795
3-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 115911072
1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-3-propylurea
CID 112556111
2-N-[2-bromo-4-(trifluoromethyl)phenyl]-4-methylpentane-1,2-diamine
CID 115511911
2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline
CID 43570550
2-N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187678
[2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine
CID 103505205

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-propan-2-yl-4-(trifluoromethyl)aniline?
The IUPAC name of 2-(aminomethyl)-N-propan-2-yl-4-(trifluoromethyl)aniline (CID 62103801) is 2-(aminomethyl)-N-propan-2-yl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-N-propan-2-yl-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-N-propan-2-yl-4-(trifluoromethyl)aniline is CC(C)Nc1ccc(C(F)(F)F)cc1CN.
What is the InChIKey of 2-(aminomethyl)-N-propan-2-yl-4-(trifluoromethyl)aniline?
The InChIKey is PIPAUPIPQWXGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-7(2)16-10-4-3-9(11(12,13)14)5-8(10)6-15/h3-5,7,16H,6,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-propan-2-yl-4-(trifluoromethyl)aniline?
2-(aminomethyl)-N-propan-2-yl-4-(trifluoromethyl)aniline has a molecular weight of 232.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-propan-2-yl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 62103801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).