1-N-[(4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine

C16H20N2O — CID 783792

IUPAC1-N-[(4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCOc1ccc(CNc2cccc(N(C)C)c2)cc1
InChIInChI=1S/C16H20N2O/c1-18(2)15-6-4-5-14(11-15)17-12-13-7-9-16(19-3)10-8-13/h4-11,17H,12H2,1-3H3
InChIKeyBFMNQBWQKKPISK-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.37
Rot. Bonds5

About 1-N-[(4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-[(4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 783792) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-N-[(4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[(4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID783792
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-N-[(4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCOc1ccc(CNc2cccc(N(C)C)c2)cc1
InChIInChI=1S/C16H20N2O/c1-18(2)15-6-4-5-14(11-15)17-12-13-7-9-16(19-3)10-8-13/h4-11,17H,12H2,1-3H3
InChIKeyBFMNQBWQKKPISK-UHFFFAOYSA-N
XLogP3.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Florbetaben (18F)
CID 11501341
N-(4-methoxybenzyl)-N'-phenylthiourea
CID 773303
N-Benzyl-4-methoxyaniline
CID 519413
4-methoxy-N-(1-phenylethyl)aniline
CID 3849761
Florbetaben unlabelled
CID 53257383
3,4-Dimethoxy-N-(4-methoxyphenyl)benzylamine
CID 784220
N-(4-Methoxybenzyl)aniline
CID 408377
N-[(4-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 9155553
US9205085, Msx-205
CID 23656764
N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
CID 24750069
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
CID 44334052
2-[(2-anilino-2-oxoethyl)sulfanyl]-N-(4-methoxybenzyl)acetamide
CID 578565

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[(4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine (CID 783792) is 1-N-[(4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[(4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[(4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine is COc1ccc(CNc2cccc(N(C)C)c2)cc1.
What is the InChIKey of 1-N-[(4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is BFMNQBWQKKPISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18(2)15-6-4-5-14(11-15)17-12-13-7-9-16(19-3)10-8-13/h4-11,17H,12H2,1-3H3.
What are the key properties of 1-N-[(4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-[(4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 783792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).