2-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-4-(trifluoromethyl)aniline

C15H21F3N2 — CID 43587121

IUPAC2-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-4-(trifluoromethyl)aniline
SMILESCCCN(CC1CC1)c1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C15H21F3N2/c1-2-7-20(10-11-3-4-11)14-6-5-13(15(16,17)18)8-12(14)9-19/h5-6,8,11H,2-4,7,9-10,19H2,1H3
InChIKeyBMVJLCAYNVCCBK-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.79
Rot. Bonds6

About 2-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-4-(trifluoromethyl)aniline

2-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-4-(trifluoromethyl)aniline (PubChem CID 43587121) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-4-(trifluoromethyl)aniline
PubChem CID43587121
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name2-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-4-(trifluoromethyl)aniline
SMILESCCCN(CC1CC1)c1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C15H21F3N2/c1-2-7-20(10-11-3-4-11)14-6-5-13(15(16,17)18)8-12(14)9-19/h5-6,8,11H,2-4,7,9-10,19H2,1H3
InChIKeyBMVJLCAYNVCCBK-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Aminomethyl)-N,N-dimethylaniline
CID 80826
N-Ethyl-4-(dimethylamino)benzylamine
CID 3542461
1-(2,4-Xylyl)piperazine
CID 70544
1-(1-Methyl-1,2,3,4-tetrahydroquinolin-6-YL)methanamine
CID 1112172
(Cyclopropylmethyl)[4-(diethylamino)benzyl]propylamine
CID 783342
N-(3-aminopropyl)-4-tert-butyl-N,N-dimethylbenzenaminium
CID 44405565
(1-Propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine
CID 651423
N,N,2,4-Tetramethylbenzenamine
CID 136612
N-methyl-4-(N,N-dimethylamino)benzylamine
CID 964742
N-(2-Aminomethyl)phenyl)-N,N-dimethylamine
CID 2760939
N-ethyl-4-(trifluoromethyl)aniline
CID 11252470
4-(Aminomethyl)-N,N-Diethylaniline
CID 13710454

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-4-(trifluoromethyl)aniline?
The IUPAC name of 2-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-4-(trifluoromethyl)aniline (CID 43587121) is 2-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-4-(trifluoromethyl)aniline is CCCN(CC1CC1)c1ccc(C(F)(F)F)cc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-4-(trifluoromethyl)aniline?
The InChIKey is BMVJLCAYNVCCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-2-7-20(10-11-3-4-11)14-6-5-13(15(16,17)18)8-12(14)9-19/h5-6,8,11H,2-4,7,9-10,19H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-4-(trifluoromethyl)aniline?
2-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-4-(trifluoromethyl)aniline has a molecular weight of 286.34 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 43587121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).