(5-fluoro-2-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

C18H20FNO — CID 62718085

IUPAC(5-fluoro-2-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESCOc1ccc(F)cc1C(N)C1CCCc2ccccc21
InChIInChI=1S/C18H20FNO/c1-21-17-10-9-13(19)11-16(17)18(20)15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,9-11,15,18H,4,6,8,20H2,1H3
InChIKeyRBCNDARYWNPBFK-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.95
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

(5-fluoro-2-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (PubChem CID 62718085) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
PubChem CID62718085
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name(5-fluoro-2-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESCOc1ccc(F)cc1C(N)C1CCCc2ccccc21
InChIInChI=1S/C18H20FNO/c1-21-17-10-9-13(19)11-16(17)18(20)15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,9-11,15,18H,4,6,8,20H2,1H3
InChIKeyRBCNDARYWNPBFK-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 66394751
2,3-dihydro-1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176556
(3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63247325
2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine
CID 65406101
(2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 107476058
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
[(5-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]hydrazine
CID 105218802
(5-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107177071
4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
CID 116941932
(5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 82769188
1-[chloro-(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63433876
(2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106881515

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (CID 62718085) is (5-fluoro-2-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is COc1ccc(F)cc1C(N)C1CCCc2ccccc21.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The InChIKey is RBCNDARYWNPBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-21-17-10-9-13(19)11-16(17)18(20)15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,9-11,15,18H,4,6,8,20H2,1H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
(5-fluoro-2-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine has a molecular weight of 285.36 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is sourced from PubChem (CID 62718085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).