N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine

C21H26N2O2 — CID 132523349

IUPACN'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCOc1ccc(CN(C)CCN(C)Cc2cc3ccccc3o2)cc1
InChIInChI=1S/C21H26N2O2/c1-22(15-17-8-10-19(24-3)11-9-17)12-13-23(2)16-20-14-18-6-4-5-7-21(18)25-20/h4-11,14H,12-13,15-16H2,1-3H3
InChIKeyNJVBKILKJCBTOS-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.01
Rot. Bonds8

About N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine

N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 132523349) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID132523349
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCOc1ccc(CN(C)CCN(C)Cc2cc3ccccc3o2)cc1
InChIInChI=1S/C21H26N2O2/c1-22(15-17-8-10-19(24-3)11-9-17)12-13-23(2)16-20-14-18-6-4-5-7-21(18)25-20/h4-11,14H,12-13,15-16H2,1-3H3
InChIKeyNJVBKILKJCBTOS-UHFFFAOYSA-N
XLogP4.01
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 110732927
N-(1-benzofuran-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 110732936
2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride
CID 119032828
1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine
CID 115317243
N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 29276863
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline
CID 28619697
N-(1-benzofuran-2-ylmethyl)-N',N'-diethyl-N-methyldecane-1,10-diamine;iodoethane
CID 45127733
N'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine
CID 54566866
3-anthracen-9-yl-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 156612694
N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 46551191
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine (CID 132523349) is N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine is COc1ccc(CN(C)CCN(C)Cc2cc3ccccc3o2)cc1.
What is the InChIKey of N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is NJVBKILKJCBTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-22(15-17-8-10-19(24-3)11-9-17)12-13-23(2)16-20-14-18-6-4-5-7-21(18)25-20/h4-11,14H,12-13,15-16H2,1-3H3.
What are the key properties of N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 338.45 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 132523349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).