N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

C14H21F3N2 — CID 114478730

IUPACN-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1ccc(CN)cc1C)CC(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-3-6-19(10-14(15,16)17)9-13-5-4-12(8-18)7-11(13)2/h4-5,7H,3,6,8-10,18H2,1-2H3
InChIKeyNOVFYONIKDCXAE-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.23
Rot. Bonds6

About N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 114478730) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID114478730
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC NameN-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1ccc(CN)cc1C)CC(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-3-6-19(10-14(15,16)17)9-13-5-4-12(8-18)7-11(13)2/h4-5,7H,3,6,8-10,18H2,1-2H3
InChIKeyNOVFYONIKDCXAE-UHFFFAOYSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62019836
2-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 55009209
N-[[4-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]-N-propylpropan-1-amine
CID 153403817
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459900
2-chloro-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 55006318
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 78924660
4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-3-methylbenzenecarbothioamide
CID 107479970
N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 114478711
[4-(aminomethyl)-2-methylphenyl]methanethiol
CID 145486508
[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
CID 114478620
2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 107347369
3-fluoro-N'-hydroxy-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide
CID 76912514

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 114478730) is N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(Cc1ccc(CN)cc1C)CC(F)(F)F.
What is the InChIKey of N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is NOVFYONIKDCXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-3-6-19(10-14(15,16)17)9-13-5-4-12(8-18)7-11(13)2/h4-5,7H,3,6,8-10,18H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 274.33 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 114478730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).