1-(3-fluoro-5-methylphenyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine

C18H20FNO — CID 79696984

IUPAC1-(3-fluoro-5-methylphenyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)(c1cc(C)cc(F)c1)CCC2
InChIInChI=1S/C18H20FNO/c1-12-8-14(10-15(19)9-12)18(20)7-3-4-13-5-6-16(21-2)11-17(13)18/h5-6,8-11H,3-4,7,20H2,1-2H3
InChIKeyRGPLUWCQJUVICY-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.68
Rot. Bonds2

About 1-(3-fluoro-5-methylphenyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine

1-(3-fluoro-5-methylphenyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 79696984) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID79696984
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-(3-fluoro-5-methylphenyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)(c1cc(C)cc(F)c1)CCC2
InChIInChI=1S/C18H20FNO/c1-12-8-14(10-15(19)9-12)18(20)7-3-4-13-5-6-16(21-2)11-17(13)18/h5-6,8-11H,3-4,7,20H2,1-2H3
InChIKeyRGPLUWCQJUVICY-UHFFFAOYSA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine
CID 79371978
6-methoxy-1-phenyl-2,3-dihydroinden-1-amine
CID 79374582
1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248291
1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 62800508
6-methoxy-1-(5-methylthiophen-3-yl)-2,3-dihydroinden-1-amine
CID 79375071
1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine
CID 79375070
1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 65313131
1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 107359302
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79233836
1-(4-ethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79233573

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine (CID 79696984) is 1-(3-fluoro-5-methylphenyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine is COc1ccc2c(c1)C(N)(c1cc(C)cc(F)c1)CCC2.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is RGPLUWCQJUVICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12-8-14(10-15(19)9-12)18(20)7-3-4-13-5-6-16(21-2)11-17(13)18/h5-6,8-11H,3-4,7,20H2,1-2H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
1-(3-fluoro-5-methylphenyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 285.36 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 79696984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).