2-(5-tert-butyl-2-methoxyphenyl)-3-naphthalen-1-ylpropan-1-amine

C24H29NO — CID 112539017

IUPAC2-(5-tert-butyl-2-methoxyphenyl)-3-naphthalen-1-ylpropan-1-amine
SMILESCOc1ccc(C(C)(C)C)cc1C(CN)Cc1cccc2ccccc12
InChIInChI=1S/C24H29NO/c1-24(2,3)20-12-13-23(26-4)22(15-20)19(16-25)14-18-10-7-9-17-8-5-6-11-21(17)18/h5-13,15,19H,14,16,25H2,1-4H3
InChIKeyLLMWNXAQNOBKOD-UHFFFAOYSA-N
MW347.50 g/mol
LogP5.43
Rot. Bonds5

About 2-(5-tert-butyl-2-methoxyphenyl)-3-naphthalen-1-ylpropan-1-amine

2-(5-tert-butyl-2-methoxyphenyl)-3-naphthalen-1-ylpropan-1-amine (PubChem CID 112539017) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methoxyphenyl)-3-naphthalen-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methoxyphenyl)-3-naphthalen-1-ylpropan-1-amine
PubChem CID112539017
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name2-(5-tert-butyl-2-methoxyphenyl)-3-naphthalen-1-ylpropan-1-amine
SMILESCOc1ccc(C(C)(C)C)cc1C(CN)Cc1cccc2ccccc12
InChIInChI=1S/C24H29NO/c1-24(2,3)20-12-13-23(26-4)22(15-20)19(16-25)14-18-10-7-9-17-8-5-6-11-21(17)18/h5-13,15,19H,14,16,25H2,1-4H3
InChIKeyLLMWNXAQNOBKOD-UHFFFAOYSA-N
XLogP5.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83975032
2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine
CID 83974910
2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 83975035
3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 112538999
2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine
CID 83975069
3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974607
2-(5-ethyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 82139945
2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine
CID 83973596
3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974869
2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 83974993
3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine
CID 83972548
amino-(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 116939444

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methoxyphenyl)-3-naphthalen-1-ylpropan-1-amine?
The IUPAC name of 2-(5-tert-butyl-2-methoxyphenyl)-3-naphthalen-1-ylpropan-1-amine (CID 112539017) is 2-(5-tert-butyl-2-methoxyphenyl)-3-naphthalen-1-ylpropan-1-amine.
What is the SMILES notation for 2-(5-tert-butyl-2-methoxyphenyl)-3-naphthalen-1-ylpropan-1-amine?
The canonical SMILES for 2-(5-tert-butyl-2-methoxyphenyl)-3-naphthalen-1-ylpropan-1-amine is COc1ccc(C(C)(C)C)cc1C(CN)Cc1cccc2ccccc12.
What is the InChIKey of 2-(5-tert-butyl-2-methoxyphenyl)-3-naphthalen-1-ylpropan-1-amine?
The InChIKey is LLMWNXAQNOBKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c1-24(2,3)20-12-13-23(26-4)22(15-20)19(16-25)14-18-10-7-9-17-8-5-6-11-21(17)18/h5-13,15,19H,14,16,25H2,1-4H3.
What are the key properties of 2-(5-tert-butyl-2-methoxyphenyl)-3-naphthalen-1-ylpropan-1-amine?
2-(5-tert-butyl-2-methoxyphenyl)-3-naphthalen-1-ylpropan-1-amine has a molecular weight of 347.50 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methoxyphenyl)-3-naphthalen-1-ylpropan-1-amine is sourced from PubChem (CID 112539017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).