1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine

C20H27NO4 — CID 30611503

IUPAC1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCc2ccc(OC(C)C)c(OC)c2)cc1OC
InChIInChI=1S/C20H27NO4/c1-14(2)25-18-9-7-16(11-20(18)24-5)13-21-12-15-6-8-17(22-3)19(10-15)23-4/h6-11,14,21H,12-13H2,1-5H3
InChIKeyMUFXKSMWEQMNGO-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.79
Rot. Bonds9

About 1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine

1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine (PubChem CID 30611503) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
PubChem CID30611503
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCc2ccc(OC(C)C)c(OC)c2)cc1OC
InChIInChI=1S/C20H27NO4/c1-14(2)25-18-9-7-16(11-20(18)24-5)13-21-12-15-6-8-17(22-3)19(10-15)23-4/h6-11,14,21H,12-13H2,1-5H3
InChIKeyMUFXKSMWEQMNGO-UHFFFAOYSA-N
XLogP3.79
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814
1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 43391975
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine
CID 39422750
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632567
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584619
4,4,4-trifluoro-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]butan-1-amine
CID 79037389
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 115623081
1-(3-methoxy-4-propan-2-yloxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957485
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43400202
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]but-3-yn-2-amine
CID 114415529
2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 115592709

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine (CID 30611503) is 1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine is COc1ccc(CNCc2ccc(OC(C)C)c(OC)c2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine?
The InChIKey is MUFXKSMWEQMNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-14(2)25-18-9-7-16(11-20(18)24-5)13-21-12-15-6-8-17(22-3)19(10-15)23-4/h6-11,14,21H,12-13H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine?
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine has a molecular weight of 345.44 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine is sourced from PubChem (CID 30611503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).