1-(2,6-difluoro-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanamine

C17H19F2NO — CID 62538840

IUPAC1-(2,6-difluoro-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanamine
SMILESCOc1cc(F)c(C(N)Cc2cc(C)ccc2C)c(F)c1
InChIInChI=1S/C17H19F2NO/c1-10-4-5-11(2)12(6-10)7-16(20)17-14(18)8-13(21-3)9-15(17)19/h4-6,8-9,16H,7,20H2,1-3H3
InChIKeyUAGACJPHIGVZMQ-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.83
Rot. Bonds4

About 1-(2,6-difluoro-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanamine

1-(2,6-difluoro-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanamine (PubChem CID 62538840) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanamine
PubChem CID62538840
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-(2,6-difluoro-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanamine
SMILESCOc1cc(F)c(C(N)Cc2cc(C)ccc2C)c(F)c1
InChIInChI=1S/C17H19F2NO/c1-10-4-5-11(2)12(6-10)7-16(20)17-14(18)8-13(21-3)9-15(17)19/h4-6,8-9,16H,7,20H2,1-3H3
InChIKeyUAGACJPHIGVZMQ-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-1,3-difluoro-5-methoxybenzene
CID 63435333
1-(2-bromo-6-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 114559956
2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine
CID 105026220
(2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 60964479
1-(2,4-difluoro-5-methylphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 79724685
2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine
CID 60964951
1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine
CID 54880583
(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171215785
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene
CID 63543209
(2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride
CID 171215809
(1S)-1-(2,6-difluoro-4-methoxyphenyl)pentane-1,5-diamine
CID 171235409
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 106866965

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanamine?
The IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanamine (CID 62538840) is 1-(2,6-difluoro-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(2,6-difluoro-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(2,6-difluoro-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanamine is COc1cc(F)c(C(N)Cc2cc(C)ccc2C)c(F)c1.
What is the InChIKey of 1-(2,6-difluoro-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanamine?
The InChIKey is UAGACJPHIGVZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-10-4-5-11(2)12(6-10)7-16(20)17-14(18)8-13(21-3)9-15(17)19/h4-6,8-9,16H,7,20H2,1-3H3.
What are the key properties of 1-(2,6-difluoro-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanamine?
1-(2,6-difluoro-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanamine has a molecular weight of 291.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 62538840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).