1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine

C17H20FNO — CID 103395200

IUPAC1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)(N)c2ccc(C)c(C)c2)c(F)c1
InChIInChI=1S/C17H20FNO/c1-11-5-6-13(9-12(11)2)17(3,19)15-8-7-14(20-4)10-16(15)18/h5-10H,19H2,1-4H3
InChIKeyBRSQRZHLMVMLPK-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.67
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine

1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 103395200) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
PubChem CID103395200
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)(N)c2ccc(C)c(C)c2)c(F)c1
InChIInChI=1S/C17H20FNO/c1-11-5-6-13(9-12(11)2)17(3,19)15-8-7-14(20-4)10-16(15)18/h5-10H,19H2,1-4H3
InChIKeyBRSQRZHLMVMLPK-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)-1-(4-methoxyphenyl)ethanamine
CID 107512472
1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine
CID 62790432
1-(2-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 103395231
1-(3,4-difluorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 62802017
2-fluoro-2-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 69346788
1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 82769168
1-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 54946064
2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene
CID 134360467
1-[dichloro-(4-fluorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 69055296
1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine
CID 62801327
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol
CID 103394960

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine (CID 103395200) is 1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine is COc1ccc(C(C)(N)c2ccc(C)c(C)c2)c(F)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is BRSQRZHLMVMLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11-5-6-13(9-12(11)2)17(3,19)15-8-7-14(20-4)10-16(15)18/h5-10H,19H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine?
1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 103395200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).