1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine

C15H22FNO — CID 117382057

IUPAC1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
SMILESCOc1cc(CC(C)(C)N)c(F)c2c1CCCC2
InChIInChI=1S/C15H22FNO/c1-15(2,17)9-10-8-13(18-3)11-6-4-5-7-12(11)14(10)16/h8H,4-7,9,17H2,1-3H3
InChIKeyVBQZPDFHXUESSD-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.99
Rot. Bonds3

About 1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine

1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine (PubChem CID 117382057) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
PubChem CID117382057
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
SMILESCOc1cc(CC(C)(C)N)c(F)c2c1CCCC2
InChIInChI=1S/C15H22FNO/c1-15(2,17)9-10-8-13(18-3)11-6-4-5-7-12(11)14(10)16/h8H,4-7,9,17H2,1-3H3
InChIKeyVBQZPDFHXUESSD-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
CID 117348841
1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine
CID 117446549
1-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
CID 117339388
1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117491337
1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 82648003
1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 117441916
1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
CID 84810981
1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347568
1-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
CID 117371832
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327193
2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine
CID 117112050

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine (CID 117382057) is 1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine is COc1cc(CC(C)(C)N)c(F)c2c1CCCC2.
What is the InChIKey of 1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine?
The InChIKey is VBQZPDFHXUESSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-15(2,17)9-10-8-13(18-3)11-6-4-5-7-12(11)14(10)16/h8H,4-7,9,17H2,1-3H3.
What are the key properties of 1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine?
1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine has a molecular weight of 251.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 117382057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).