1-[3-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamine

C18H21F2NO2 — CID 112815867

IUPAC1-[3-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccc(CCNC(C)c2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C18H21F2NO2/c1-13(15-4-3-5-17(12-15)23-18(19)20)21-11-10-14-6-8-16(22-2)9-7-14/h3-9,12-13,18,21H,10-11H2,1-2H3
InChIKeyFABJIJYEWLJYHQ-UHFFFAOYSA-N
MW321.37 g/mol
LogP4.19
Rot. Bonds8

About 1-[3-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamine

1-[3-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamine (PubChem CID 112815867) has the molecular formula C18H21F2NO2 and a molecular weight of 321.37 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamine
PubChem CID112815867
Molecular FormulaC18H21F2NO2
Molecular Weight321.37 g/mol
Exact Mass321.15
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccc(CCNC(C)c2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C18H21F2NO2/c1-13(15-4-3-5-17(12-15)23-18(19)20)21-11-10-14-6-8-16(22-2)9-7-14/h3-9,12-13,18,21H,10-11H2,1-2H3
InChIKeyFABJIJYEWLJYHQ-UHFFFAOYSA-N
XLogP4.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43191768
N-(2-phenylethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694648
1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 43099095
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590715
3-butoxy-N-[1-[3-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115704413
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 106041323
1-[3-(difluoromethoxy)phenyl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 119126832
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 55097413
6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol
CID 103913178
N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 18357750
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamine (CID 112815867) is 1-[3-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamine is COc1ccc(CCNC(C)c2cccc(OC(F)F)c2)cc1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamine?
The InChIKey is FABJIJYEWLJYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO2/c1-13(15-4-3-5-17(12-15)23-18(19)20)21-11-10-14-6-8-16(22-2)9-7-14/h3-9,12-13,18,21H,10-11H2,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamine?
1-[3-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamine has a molecular weight of 321.37 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 112815867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).