3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine

C20H27NO2 — CID 82160341

IUPAC3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine
SMILESCCCOc1cccc(CC(CN)c2ccc(C)cc2)c1OC
InChIInChI=1S/C20H27NO2/c1-4-12-23-19-7-5-6-17(20(19)22-3)13-18(14-21)16-10-8-15(2)9-11-16/h5-11,18H,4,12-14,21H2,1-3H3
InChIKeyBYOILBSCPWLLFO-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.08
Rot. Bonds8

About 3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine

3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine (PubChem CID 82160341) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine
PubChem CID82160341
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine
SMILESCCCOc1cccc(CC(CN)c2ccc(C)cc2)c1OC
InChIInChI=1S/C20H27NO2/c1-4-12-23-19-7-5-6-17(20(19)22-3)13-18(14-21)16-10-8-15(2)9-11-16/h5-11,18H,4,12-14,21H2,1-3H3
InChIKeyBYOILBSCPWLLFO-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine
CID 82160452
2-(3-methyl-4-propoxyphenyl)-3-naphthalen-1-ylpropan-1-amine
CID 83974158
3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 83973795
3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine
CID 83972548
2-(4-methoxyphenyl)-3-(2-methoxy-3-propan-2-yloxyphenyl)propan-1-amine
CID 82160331
3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine
CID 83973413
4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol
CID 83975456
ethane;1-ethyl-2-methoxy-3-propoxybenzene
CID 143988437
3-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
CID 82160468
1-(2-methoxy-3-pentoxyphenyl)propan-2-ol
CID 82160918
2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine
CID 82160370
2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxy-2-propoxyphenyl)propan-1-amine
CID 83977702

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine (CID 82160341) is 3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine is CCCOc1cccc(CC(CN)c2ccc(C)cc2)c1OC.
What is the InChIKey of 3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine?
The InChIKey is BYOILBSCPWLLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-4-12-23-19-7-5-6-17(20(19)22-3)13-18(14-21)16-10-8-15(2)9-11-16/h5-11,18H,4,12-14,21H2,1-3H3.
What are the key properties of 3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine?
3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine has a molecular weight of 313.44 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 82160341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).