2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline

C14H21F3N2 — CID 43570550

IUPAC2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline
SMILESCCC(CC)N(C)c1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C14H21F3N2/c1-4-12(5-2)19(3)13-7-6-11(14(15,16)17)8-10(13)9-18/h6-8,12H,4-5,9,18H2,1-3H3
InChIKeyDINVIUVVDXNVNA-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.79
Rot. Bonds5

About 2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline

2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline (PubChem CID 43570550) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline
PubChem CID43570550
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline
SMILESCCC(CC)N(C)c1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C14H21F3N2/c1-4-12(5-2)19(3)13-7-6-11(14(15,16)17)8-10(13)9-18/h6-8,12H,4-5,9,18H2,1-3H3
InChIKeyDINVIUVVDXNVNA-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)aniline
CID 43587076
2-N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187678
N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine
CID 43610591
2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol
CID 54879996
4-(aminomethyl)-N-methyl-N-pentan-3-yl-3-(trifluoromethyl)aniline
CID 43570547
2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-N-methylacetamide
CID 43572623
3-[2-(aminomethyl)-N-methyl-4-(trifluoromethyl)anilino]phenol
CID 107733662
[2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine
CID 68512051
2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline
CID 115113362
2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol
CID 107478462
2-(2-aminoethyl)-4-bromo-N-methyl-N-pentan-3-ylaniline
CID 114061936
2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)aniline
CID 63272603

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline (CID 43570550) is 2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline is CCC(CC)N(C)c1ccc(C(F)(F)F)cc1CN.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline?
The InChIKey is DINVIUVVDXNVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-4-12(5-2)19(3)13-7-6-11(14(15,16)17)8-10(13)9-18/h6-8,12H,4-5,9,18H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline?
2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline has a molecular weight of 274.33 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 43570550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).