N-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide

C14H19F3N2O2 — CID 103205402

IUPACN-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(NC(=O)CCOCC(F)(F)F)c1ccc(CN)cc1
InChIInChI=1S/C14H19F3N2O2/c1-10(12-4-2-11(8-18)3-5-12)19-13(20)6-7-21-9-14(15,16)17/h2-5,10H,6-9,18H2,1H3,(H,19,20)
InChIKeyIIVROZWVUNKAKH-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.29
Rot. Bonds7

About N-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103205402) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103205402
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(NC(=O)CCOCC(F)(F)F)c1ccc(CN)cc1
InChIInChI=1S/C14H19F3N2O2/c1-10(12-4-2-11(8-18)3-5-12)19-13(20)6-7-21-9-14(15,16)17/h2-5,10H,6-9,18H2,1H3,(H,19,20)
InChIKeyIIVROZWVUNKAKH-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide
CID 61278568
4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride
CID 119303259
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-methoxy-3-methylbutanamide
CID 103017375
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205414
2,2,2-trifluoroethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-oxopropyl]carbamate
CID 95278651
5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 82013742
N-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide
CID 103205523
N-(4-hydroxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 81047660
2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide
CID 107863936
N-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide
CID 115410172
N-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209213
N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-3-propoxypropanamide
CID 62715999

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 103205402) is N-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide is CC(NC(=O)CCOCC(F)(F)F)c1ccc(CN)cc1.
What is the InChIKey of N-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is IIVROZWVUNKAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-10(12-4-2-11(8-18)3-5-12)19-13(20)6-7-21-9-14(15,16)17/h2-5,10H,6-9,18H2,1H3,(H,19,20).
What are the key properties of N-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 304.31 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103205402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).