2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride

C11H16ClF2NO3 — CID 146049973

IUPAC2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride
SMILESCOc1cc(CCN)cc(OC)c1OC(F)F.Cl
InChIInChI=1S/C11H15F2NO3.ClH/c1-15-8-5-7(3-4-14)6-9(16-2)10(8)17-11(12)13;/h5-6,11H,3-4,14H2,1-2H3;1H
InChIKeyXUCZDTLUNZDGEA-UHFFFAOYSA-N
MW283.70 g/mol
LogP2.23
Rot. Bonds6

About 2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride

2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride (PubChem CID 146049973) has the molecular formula C11H16ClF2NO3 and a molecular weight of 283.70 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride
PubChem CID146049973
Molecular FormulaC11H16ClF2NO3
Molecular Weight283.70 g/mol
Exact Mass283.08
IUPAC Name2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride
SMILESCOc1cc(CCN)cc(OC)c1OC(F)F.Cl
InChIInChI=1S/C11H15F2NO3.ClH/c1-15-8-5-7(3-4-14)6-9(16-2)10(8)17-11(12)13;/h5-6,11H,3-4,14H2,1-2H3;1H
InChIKeyXUCZDTLUNZDGEA-UHFFFAOYSA-N
XLogP2.23
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine
CID 60906197
2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine
CID 54930550
[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine
CID 43622273
2-[3,5-dimethoxy-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine;hydrochloride
CID 175787440
N-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
CID 119385630
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene
CID 137454177
2-[3-(2-fluorophenyl)-4,5-dimethoxyphenyl]ethanamine
CID 82038950
2-[4-(2,2-difluoroethenyl)-3,5-dimethoxyphenyl]ethanamine;hydrochloride
CID 168891406
2-[3-bromo-4-(3-fluoropropoxy)-5-methoxyphenyl]ethanamine
CID 81114019
2-(3,4-dimethoxy-5-phenylphenyl)ethanamine
CID 82038802
2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
CID 137454022
4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride
CID 122360118

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride?
The IUPAC name of 2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride (CID 146049973) is 2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride is COc1cc(CCN)cc(OC)c1OC(F)F.Cl.
What is the InChIKey of 2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride?
The InChIKey is XUCZDTLUNZDGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3.ClH/c1-15-8-5-7(3-4-14)6-9(16-2)10(8)17-11(12)13;/h5-6,11H,3-4,14H2,1-2H3;1H.
What are the key properties of 2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride?
2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride has a molecular weight of 283.70 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride is sourced from PubChem (CID 146049973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).