2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride

C12H16ClF3N2O2 — CID 119277641

IUPAC2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
SMILESCC(N)C(=O)NCc1ccc(OCC(F)(F)F)cc1.Cl
InChIInChI=1S/C12H15F3N2O2.ClH/c1-8(16)11(18)17-6-9-2-4-10(5-3-9)19-7-12(13,14)15;/h2-5,8H,6-7,16H2,1H3,(H,17,18);1H
InChIKeyCBTMNXKUVIKOLD-UHFFFAOYSA-N
MW312.72 g/mol
LogP2.01
Rot. Bonds5

About 2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride

2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride (PubChem CID 119277641) has the molecular formula C12H16ClF3N2O2 and a molecular weight of 312.72 g/mol. Its IUPAC name is 2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
PubChem CID119277641
Molecular FormulaC12H16ClF3N2O2
Molecular Weight312.72 g/mol
Exact Mass312.09
IUPAC Name2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
SMILESCC(N)C(=O)NCc1ccc(OCC(F)(F)F)cc1.Cl
InChIInChI=1S/C12H15F3N2O2.ClH/c1-8(16)11(18)17-6-9-2-4-10(5-3-9)19-7-12(13,14)15;/h2-5,8H,6-7,16H2,1H3,(H,17,18);1H
InChIKeyCBTMNXKUVIKOLD-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119701662
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119277633
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 43042680
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
2-(2-chlorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 43058982
2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
CID 110460128
2-amino-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 115152374
2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119701626
2-bromo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 55257440
(2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride
CID 119297040
4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119277655

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride (CID 119277641) is 2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride is CC(N)C(=O)NCc1ccc(OCC(F)(F)F)cc1.Cl.
What is the InChIKey of 2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is CBTMNXKUVIKOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2.ClH/c1-8(16)11(18)17-6-9-2-4-10(5-3-9)19-7-12(13,14)15;/h2-5,8H,6-7,16H2,1H3,(H,17,18);1H.
What are the key properties of 2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride?
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 312.72 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119277641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).