N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C14H21F3N2O — CID 61491298

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCN(CCCOCC(F)(F)F)Cc1ccccc1CN
InChIInChI=1S/C14H21F3N2O/c1-19(7-4-8-20-11-14(15,16)17)10-13-6-3-2-5-12(13)9-18/h2-3,5-6H,4,7-11,18H2,1H3
InChIKeyJNZXAIAJVHEEAY-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.55
Rot. Bonds8

About N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 61491298) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID61491298
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCN(CCCOCC(F)(F)F)Cc1ccccc1CN
InChIInChI=1S/C14H21F3N2O/c1-19(7-4-8-20-11-14(15,16)17)10-13-6-3-2-5-12(13)9-18/h2-3,5-6H,4,7-11,18H2,1H3
InChIKeyJNZXAIAJVHEEAY-UHFFFAOYSA-N
XLogP2.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 61491298) is N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CN(CCCOCC(F)(F)F)Cc1ccccc1CN.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is JNZXAIAJVHEEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-19(7-4-8-20-11-14(15,16)17)10-13-6-3-2-5-12(13)9-18/h2-3,5-6H,4,7-11,18H2,1H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 290.33 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 61491298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).