N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

C14H19F3N2O2 — CID 103205414

IUPACN-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCN(Cc1ccc(CN)cc1)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-19(9-12-4-2-11(8-18)3-5-12)13(20)6-7-21-10-14(15,16)17/h2-5H,6-10,18H2,1H3
InChIKeyKNRFAKXIXKNLPK-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.07
Rot. Bonds7

About N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103205414) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103205414
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCN(Cc1ccc(CN)cc1)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-19(9-12-4-2-11(8-18)3-5-12)13(20)6-7-21-10-14(15,16)17/h2-5H,6-10,18H2,1H3
InChIKeyKNRFAKXIXKNLPK-UHFFFAOYSA-N
XLogP2.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.07
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-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide (CID 103205414) is N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide is CN(Cc1ccc(CN)cc1)C(=O)CCOCC(F)(F)F.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is KNRFAKXIXKNLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-19(9-12-4-2-11(8-18)3-5-12)13(20)6-7-21-10-14(15,16)17/h2-5H,6-10,18H2,1H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 304.31 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103205414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).