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

C21H29NO — CID 83975032

IUPAC2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
SMILESCOc1ccc(C(C)(C)C)cc1C(CN)Cc1ccccc1C
InChIInChI=1S/C21H29NO/c1-15-8-6-7-9-16(15)12-17(14-22)19-13-18(21(2,3)4)10-11-20(19)23-5/h6-11,13,17H,12,14,22H2,1-5H3
InChIKeyNXVRGRZSIRDHMS-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.59
Rot. Bonds5

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

2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine (PubChem CID 83975032) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
PubChem CID83975032
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
SMILESCOc1ccc(C(C)(C)C)cc1C(CN)Cc1ccccc1C
InChIInChI=1S/C21H29NO/c1-15-8-6-7-9-16(15)12-17(14-22)19-13-18(21(2,3)4)10-11-20(19)23-5/h6-11,13,17H,12,14,22H2,1-5H3
InChIKeyNXVRGRZSIRDHMS-UHFFFAOYSA-N
XLogP4.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.59
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-ethyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 82139945
2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 83975035
2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine
CID 83975069
3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974869
2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83974769
3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974607
2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine
CID 83974910
2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine
CID 82141384
3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 112538999
2-(2,4-dimethylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83972876
(2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 165410235

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine (CID 83975032) is 2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine is COc1ccc(C(C)(C)C)cc1C(CN)Cc1ccccc1C.
What is the InChIKey of 2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine?
The InChIKey is NXVRGRZSIRDHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-15-8-6-7-9-16(15)12-17(14-22)19-13-18(21(2,3)4)10-11-20(19)23-5/h6-11,13,17H,12,14,22H2,1-5H3.
What are the key properties of 2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine?
2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine has a molecular weight of 311.47 g/mol, XLogP of 4.59, 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-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 83975032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).