N-(1-aminohexan-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride

C16H24ClF3N2O2 — CID 119667198

IUPACN-(1-aminohexan-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C(C)Oc1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C16H23F3N2O2.ClH/c1-3-4-7-12(10-20)21-15(22)11(2)23-14-9-6-5-8-13(14)16(17,18)19;/h5-6,8-9,11-12H,3-4,7,10,20H2,1-2H3,(H,21,22);1H
InChIKeyMZEJUDOCYRDGCF-UHFFFAOYSA-N
MW368.83 g/mol
LogP3.53
Rot. Bonds8

About N-(1-aminohexan-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride

N-(1-aminohexan-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride (PubChem CID 119667198) has the molecular formula C16H24ClF3N2O2 and a molecular weight of 368.83 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
PubChem CID119667198
Molecular FormulaC16H24ClF3N2O2
Molecular Weight368.83 g/mol
Exact Mass368.15
IUPAC NameN-(1-aminohexan-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C(C)Oc1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C16H23F3N2O2.ClH/c1-3-4-7-12(10-20)21-15(22)11(2)23-14-9-6-5-8-13(14)16(17,18)19;/h5-6,8-9,11-12H,3-4,7,10,20H2,1-2H3,(H,21,22);1H
InChIKeyMZEJUDOCYRDGCF-UHFFFAOYSA-N
XLogP3.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119238412
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 119570702
N-(1-aminohexan-2-yl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119668887
N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 119507555
N-(1-aminohexan-2-yl)-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 119666599
2-phenyl-3-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119254881
N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119665970
N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)propanamide;hydrochloride
CID 119586798
N-(1-aminohexan-2-yl)-2-(2-fluorophenyl)-2-methylpropanamide
CID 119666719
1-(trifluoromethyl)-2-undecan-2-yloxybenzene
CID 150002093
1-nonan-2-yloxy-2-(trifluoromethyl)benzene
CID 130445178
2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid
CID 43469679

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride (CID 119667198) is N-(1-aminohexan-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride is CCCCC(CN)NC(=O)C(C)Oc1ccccc1C(F)(F)F.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride?
The InChIKey is MZEJUDOCYRDGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2.ClH/c1-3-4-7-12(10-20)21-15(22)11(2)23-14-9-6-5-8-13(14)16(17,18)19;/h5-6,8-9,11-12H,3-4,7,10,20H2,1-2H3,(H,21,22);1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride has a molecular weight of 368.83 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride is sourced from PubChem (CID 119667198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).