N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline

C17H21NO — CID 43766137

IUPACN-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline
SMILESCOc1cc(C)ccc1C(C)Nc1ccccc1C
InChIInChI=1S/C17H21NO/c1-12-9-10-15(17(11-12)19-4)14(3)18-16-8-6-5-7-13(16)2/h5-11,14,18H,1-4H3
InChIKeyNMTNYJSOTOTSOY-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.49
Rot. Bonds4

About N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline

N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline (PubChem CID 43766137) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline
PubChem CID43766137
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline
SMILESCOc1cc(C)ccc1C(C)Nc1ccccc1C
InChIInChI=1S/C17H21NO/c1-12-9-10-15(17(11-12)19-4)14(3)18-16-8-6-5-7-13(16)2/h5-11,14,18H,1-4H3
InChIKeyNMTNYJSOTOTSOY-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43757835
2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43772205
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-nitroaniline
CID 43785497
2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline
CID 43757713
2,5-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline
CID 104726578
2,4,5-trichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43759088
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline
CID 43755641
2-bromo-4-fluoro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43772548
2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43110111
2-methoxy-N-[1-(2-methylphenyl)ethyl]aniline
CID 43191325
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106627
5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline
CID 43729543

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline?
The IUPAC name of N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline (CID 43766137) is N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline.
What is the SMILES notation for N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline?
The canonical SMILES for N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline is COc1cc(C)ccc1C(C)Nc1ccccc1C.
What is the InChIKey of N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline?
The InChIKey is NMTNYJSOTOTSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-9-10-15(17(11-12)19-4)14(3)18-16-8-6-5-7-13(16)2/h5-11,14,18H,1-4H3.
What are the key properties of N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline?
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline has a molecular weight of 255.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline is sourced from PubChem (CID 43766137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).