2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine

C22H25NO — CID 83974910

IUPAC2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine
SMILESCOc1cc(C)c(C)cc1C(CN)Cc1cccc2ccccc12
InChIInChI=1S/C22H25NO/c1-15-11-21(22(24-3)12-16(15)2)19(14-23)13-18-9-6-8-17-7-4-5-10-20(17)18/h4-12,19H,13-14,23H2,1-3H3
InChIKeyQNZUDMZBOOSHHG-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.75
Rot. Bonds5

About 2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine

2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine (PubChem CID 83974910) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine
PubChem CID83974910
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine
SMILESCOc1cc(C)c(C)cc1C(CN)Cc1cccc2ccccc12
InChIInChI=1S/C22H25NO/c1-15-11-21(22(24-3)12-16(15)2)19(14-23)13-18-9-6-8-17-7-4-5-10-20(17)18/h4-12,19H,13-14,23H2,1-3H3
InChIKeyQNZUDMZBOOSHHG-UHFFFAOYSA-N
XLogP4.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-tert-butyl-2-methoxyphenyl)-3-naphthalen-1-ylpropan-1-amine
CID 112539017
2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83975032
2-(5-ethyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 82139945
2-(3-methyl-4-propoxyphenyl)-3-naphthalen-1-ylpropan-1-amine
CID 83974158
3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol
CID 82283929
2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine
CID 83974871
3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974869
3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974607
3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974913
3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 112538999
2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine
CID 83973596
(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine?
The IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine (CID 83974910) is 2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine.
What is the SMILES notation for 2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine?
The canonical SMILES for 2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine is COc1cc(C)c(C)cc1C(CN)Cc1cccc2ccccc12.
What is the InChIKey of 2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine?
The InChIKey is QNZUDMZBOOSHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-15-11-21(22(24-3)12-16(15)2)19(14-23)13-18-9-6-8-17-7-4-5-10-20(17)18/h4-12,19H,13-14,23H2,1-3H3.
What are the key properties of 2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine?
2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine has a molecular weight of 319.45 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine is sourced from PubChem (CID 83974910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).