2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine

C21H29NO2 — CID 83975035

IUPAC2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(CC(CN)c2cc(C(C)(C)C)ccc2OC)cc1
InChIInChI=1S/C21H29NO2/c1-21(2,3)17-8-11-20(24-5)19(13-17)16(14-22)12-15-6-9-18(23-4)10-7-15/h6-11,13,16H,12,14,22H2,1-5H3
InChIKeyWDKKAKVVPOVPOX-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.29
Rot. Bonds6

About 2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine

2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine (PubChem CID 83975035) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
PubChem CID83975035
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(CC(CN)c2cc(C(C)(C)C)ccc2OC)cc1
InChIInChI=1S/C21H29NO2/c1-21(2,3)17-8-11-20(24-5)19(13-17)16(14-22)12-15-6-9-18(23-4)10-7-15/h6-11,13,16H,12,14,22H2,1-5H3
InChIKeyWDKKAKVVPOVPOX-UHFFFAOYSA-N
XLogP4.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974869
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-tert-butyl-2-ethoxyphenyl)-3-pyridin-4-ylpropan-1-amine
CID 83974992
2-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 83975783
2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine
CID 82141576
2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83974613
2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 82139339
3-(4-tert-butylphenyl)-2-(2,5-dimethoxyphenyl)propanenitrile
CID 82140137
2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 82141160
2-(2,5-dimethoxyphenyl)-4-methylpentan-1-amine
CID 112508412
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-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine (CID 83975035) is 2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine is COc1ccc(CC(CN)c2cc(C(C)(C)C)ccc2OC)cc1.
What is the InChIKey of 2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine?
The InChIKey is WDKKAKVVPOVPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-21(2,3)17-8-11-20(24-5)19(13-17)16(14-22)12-15-6-9-18(23-4)10-7-15/h6-11,13,16H,12,14,22H2,1-5H3.
What are the key properties of 2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine?
2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine has a molecular weight of 327.47 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 83975035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).