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

C14H21F3N2 — CID 43570547

IUPAC4-(aminomethyl)-N-methyl-N-pentan-3-yl-3-(trifluoromethyl)aniline
SMILESCCC(CC)N(C)c1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C14H21F3N2/c1-4-11(5-2)19(3)12-7-6-10(9-18)13(8-12)14(15,16)17/h6-8,11H,4-5,9,18H2,1-3H3
InChIKeyOBNBYHVCLQBDTR-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.79
Rot. Bonds5

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

4-(aminomethyl)-N-methyl-N-pentan-3-yl-3-(trifluoromethyl)aniline (PubChem CID 43570547) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-pentan-3-yl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-pentan-3-yl-3-(trifluoromethyl)aniline
PubChem CID43570547
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name4-(aminomethyl)-N-methyl-N-pentan-3-yl-3-(trifluoromethyl)aniline
SMILESCCC(CC)N(C)c1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C14H21F3N2/c1-4-11(5-2)19(3)12-7-6-10(9-18)13(8-12)14(15,16)17/h6-8,11H,4-5,9,18H2,1-3H3
InChIKeyOBNBYHVCLQBDTR-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

4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)aniline
CID 43569586
4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)aniline
CID 61450136
4-(bromomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)aniline
CID 107084994
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 112656935
4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)aniline
CID 81053579
1-[[4-(aminomethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
CID 114947828
2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline
CID 43570550
4-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-3-(trifluoromethyl)aniline
CID 43563877
2-[4-(aminomethyl)-N-(2-amino-2-oxoethyl)-3-(trifluoromethyl)anilino]acetamide
CID 62923272
4-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)aniline
CID 61426224
5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 115985875
4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline
CID 62105465

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-pentan-3-yl-3-(trifluoromethyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-pentan-3-yl-3-(trifluoromethyl)aniline (CID 43570547) is 4-(aminomethyl)-N-methyl-N-pentan-3-yl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-pentan-3-yl-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-pentan-3-yl-3-(trifluoromethyl)aniline is CCC(CC)N(C)c1ccc(CN)c(C(F)(F)F)c1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-pentan-3-yl-3-(trifluoromethyl)aniline?
The InChIKey is OBNBYHVCLQBDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-4-11(5-2)19(3)12-7-6-10(9-18)13(8-12)14(15,16)17/h6-8,11H,4-5,9,18H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-pentan-3-yl-3-(trifluoromethyl)aniline?
4-(aminomethyl)-N-methyl-N-pentan-3-yl-3-(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 4-(aminomethyl)-N-methyl-N-pentan-3-yl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 43570547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).