3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine

C22H31NO — CID 83974869

IUPAC3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
SMILESCOc1cc(C)c(C)cc1C(CN)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H31NO/c1-15-11-20(21(24-6)12-16(15)2)18(14-23)13-17-7-9-19(10-8-17)22(3,4)5/h7-12,18H,13-14,23H2,1-6H3
InChIKeyNWVMWSJBFFTWFS-UHFFFAOYSA-N
MW325.50 g/mol
LogP4.89
Rot. Bonds5

About 3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine

3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine (PubChem CID 83974869) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
PubChem CID83974869
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
SMILESCOc1cc(C)c(C)cc1C(CN)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H31NO/c1-15-11-20(21(24-6)12-16(15)2)18(14-23)13-17-7-9-19(10-8-17)22(3,4)5/h7-12,18H,13-14,23H2,1-6H3
InChIKeyNWVMWSJBFFTWFS-UHFFFAOYSA-N
XLogP4.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine
CID 83974871
2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 83975035
3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974913
2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine
CID 83974935
2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83975032
3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol
CID 82283929
2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 82139339
3-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)propan-1-amine
CID 83975162
2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine
CID 83974910
2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-4-ylpropan-1-amine
CID 83974992
2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 83974956
2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83974613

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine?
The IUPAC name of 3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine (CID 83974869) is 3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine?
The canonical SMILES for 3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine is COc1cc(C)c(C)cc1C(CN)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine?
The InChIKey is NWVMWSJBFFTWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-15-11-20(21(24-6)12-16(15)2)18(14-23)13-17-7-9-19(10-8-17)22(3,4)5/h7-12,18H,13-14,23H2,1-6H3.
What are the key properties of 3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine?
3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine has a molecular weight of 325.50 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 83974869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).