N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine

C20H27NO4 — CID 871572

IUPACN-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(C)c(CNCc2cc(OC)c(OC)c(OC)c2)cc1C
InChIInChI=1S/C20H27NO4/c1-13-8-17(22-3)14(2)7-16(13)12-21-11-15-9-18(23-4)20(25-6)19(10-15)24-5/h7-10,21H,11-12H2,1-6H3
InChIKeyHLPRKBPQNCBRHK-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.63
Rot. Bonds8

About N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine

N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine (PubChem CID 871572) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
PubChem CID871572
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC NameN-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(C)c(CNCc2cc(OC)c(OC)c(OC)c2)cc1C
InChIInChI=1S/C20H27NO4/c1-13-8-17(22-3)14(2)7-16(13)12-21-11-15-9-18(23-4)20(25-6)19(10-15)24-5/h7-10,21H,11-12H2,1-6H3
InChIKeyHLPRKBPQNCBRHK-UHFFFAOYSA-N
XLogP3.63
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4-methoxy-2,5-dimethylphenyl)methylamino]methanethiol
CID 115227904
1-(3,4,5-trimethoxyphenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine;hydrochloride
CID 47009124
1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 119137895
1-[(4-methoxy-2,5-dimethylphenyl)methylamino]propan-2-one
CID 115234701
methyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate
CID 115232862
1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride
CID 53351776
N'-[(4-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine
CID 115201196
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
3-[(4-methoxy-2,5-dimethylphenyl)methylamino]propanoic acid
CID 98784083
N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-en-1-amine
CID 4719130
N'-[(3,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine
CID 60889130

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine (CID 871572) is N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine is COc1cc(C)c(CNCc2cc(OC)c(OC)c(OC)c2)cc1C.
What is the InChIKey of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine?
The InChIKey is HLPRKBPQNCBRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-13-8-17(22-3)14(2)7-16(13)12-21-11-15-9-18(23-4)20(25-6)19(10-15)24-5/h7-10,21H,11-12H2,1-6H3.
What are the key properties of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine?
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine has a molecular weight of 345.44 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 871572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).