4-N-[2-(2-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine

C16H20N2O — CID 117041340

IUPAC4-N-[2-(2-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine
SMILESCOc1ccccc1CCN(C)c1ccc(N)cc1
InChIInChI=1S/C16H20N2O/c1-18(15-9-7-14(17)8-10-15)12-11-13-5-3-4-6-16(13)19-2/h3-10H,11-12,17H2,1-2H3
InChIKeyIAXFORPHNNFMTD-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.96
Rot. Bonds5

About 4-N-[2-(2-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine

4-N-[2-(2-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine (PubChem CID 117041340) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-N-[2-(2-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine
PubChem CID117041340
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-N-[2-(2-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine
SMILESCOc1ccccc1CCN(C)c1ccc(N)cc1
InChIInChI=1S/C16H20N2O/c1-18(15-9-7-14(17)8-10-15)12-11-13-5-3-4-6-16(13)19-2/h3-10H,11-12,17H2,1-2H3
InChIKeyIAXFORPHNNFMTD-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-methyl-4-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,4-diamine
CID 117041329
2-chloro-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridin-4-amine
CID 133378986
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 94258994
4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine
CID 117041341
2-[2-(2-methoxyphenyl)ethyl-methylamino]ethanethiol
CID 115224424
N-(4-aminophenyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide
CID 108899832
2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115251757
4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 28894846
2-(2-methoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170477
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
4-[(2-methoxyphenyl)methyl-methylamino]benzenecarbothioamide
CID 61418085

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-[2-(2-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine (CID 117041340) is 4-N-[2-(2-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[2-(2-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[2-(2-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine is COc1ccccc1CCN(C)c1ccc(N)cc1.
What is the InChIKey of 4-N-[2-(2-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine?
The InChIKey is IAXFORPHNNFMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18(15-9-7-14(17)8-10-15)12-11-13-5-3-4-6-16(13)19-2/h3-10H,11-12,17H2,1-2H3.
What are the key properties of 4-N-[2-(2-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine?
4-N-[2-(2-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 117041340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).