N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline

C17H21NO — CID 23991308

IUPACN-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline
SMILESCOc1ccc(CCNc2ccc(C)cc2C)cc1
InChIInChI=1S/C17H21NO/c1-13-4-9-17(14(2)12-13)18-11-10-15-5-7-16(19-3)8-6-15/h4-9,12,18H,10-11H2,1-3H3
InChIKeyWPVDDMAMLOMPTJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.97
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline

N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline (PubChem CID 23991308) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline
PubChem CID23991308
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline
SMILESCOc1ccc(CCNc2ccc(C)cc2C)cc1
InChIInChI=1S/C17H21NO/c1-13-4-9-17(14(2)12-13)18-11-10-15-5-7-16(19-3)8-6-15/h4-9,12,18H,10-11H2,1-3H3
InChIKeyWPVDDMAMLOMPTJ-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[2-(4-methoxyphenyl)ethyl]-2-methylbenzene-1,4-diamine
CID 43343022
4-N-(2,4-dimethylphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921398
2-N-(2,4-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921312
1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901898
4-N-(2,5-dimethylphenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861718
2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 82538755
N-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372182
N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline
CID 54763230
N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
CID 23394676
N-[2-(4-methoxyphenyl)ethyl]-4-methylpyridin-2-amine
CID 59643127
2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline
CID 82096306
5-N-(2,5-dimethylphenyl)-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954476

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline (CID 23991308) is N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline is COc1ccc(CCNc2ccc(C)cc2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline?
The InChIKey is WPVDDMAMLOMPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-4-9-17(14(2)12-13)18-11-10-15-5-7-16(19-3)8-6-15/h4-9,12,18H,10-11H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline?
N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline has a molecular weight of 255.36 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline is sourced from PubChem (CID 23991308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).