2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine

C20H27NO2 — CID 82160336

IUPAC2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
SMILESCOc1ccc(C(CN)Cc2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C20H27NO2/c1-15(2)14-23-20-6-4-5-16(12-20)11-18(13-21)17-7-9-19(22-3)10-8-17/h4-10,12,15,18H,11,13-14,21H2,1-3H3
InChIKeyFZSZXESKUGTZGC-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.01
Rot. Bonds8

About 2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine

2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine (PubChem CID 82160336) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
PubChem CID82160336
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
SMILESCOc1ccc(C(CN)Cc2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C20H27NO2/c1-15(2)14-23-20-6-4-5-16(12-20)11-18(13-21)17-7-9-19(22-3)10-8-17/h4-10,12,15,18H,11,13-14,21H2,1-3H3
InChIKeyFZSZXESKUGTZGC-UHFFFAOYSA-N
XLogP4.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzodioxol-5-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
CID 83973950
1-[3-(2-methylpropoxy)phenyl]propan-2-amine
CID 60907864
2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 83972606
3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol
CID 117244947
2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 83973555
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
(4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543817
2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine
CID 63986560
2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 82160286
2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
CID 83976433
4-methoxy-2-[(3-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 113473039
1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]propan-2-amine
CID 65445918

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine?
The IUPAC name of 2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine (CID 82160336) is 2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine is COc1ccc(C(CN)Cc2cccc(OCC(C)C)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine?
The InChIKey is FZSZXESKUGTZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-15(2)14-23-20-6-4-5-16(12-20)11-18(13-21)17-7-9-19(22-3)10-8-17/h4-10,12,15,18H,11,13-14,21H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine?
2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine has a molecular weight of 313.44 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine is sourced from PubChem (CID 82160336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).