N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline

C17H21NO — CID 43755641

IUPACN-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline
SMILESCOc1cc(C)ccc1C(C)Nc1cccc(C)c1
InChIInChI=1S/C17H21NO/c1-12-6-5-7-15(10-12)18-14(3)16-9-8-13(2)11-17(16)19-4/h5-11,14,18H,1-4H3
InChIKeyUIFTZRXQJGAOEM-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.49
Rot. Bonds4

About N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline

N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline (PubChem CID 43755641) 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]-3-methylaniline.

Molecular Properties

Compound NameN-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline
PubChem CID43755641
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline
SMILESCOc1cc(C)ccc1C(C)Nc1cccc(C)c1
InChIInChI=1S/C17H21NO/c1-12-6-5-7-15(10-12)18-14(3)16-9-8-13(2)11-17(16)19-4/h5-11,14,18H,1-4H3
InChIKeyUIFTZRXQJGAOEM-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

3-[1-(2-methoxy-4-methylphenyl)ethylamino]benzamide
CID 43767621
2-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43757835
4-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43764329
2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline
CID 43757713
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline
CID 43766137
2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43772205
3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106054
2-chloro-4-[1-(2-methoxy-4-methylphenyl)ethylamino]benzonitrile
CID 43775126
2,4,5-trichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43759088
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine
CID 43773913
N-[1-(2-methoxyphenyl)ethyl]-3-propan-2-ylaniline
CID 43106859
3-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43755615

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline?
The IUPAC name of N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline (CID 43755641) is N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline.
What is the SMILES notation for N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline?
The canonical SMILES for N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline is COc1cc(C)ccc1C(C)Nc1cccc(C)c1.
What is the InChIKey of N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline?
The InChIKey is UIFTZRXQJGAOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-6-5-7-15(10-12)18-14(3)16-9-8-13(2)11-17(16)19-4/h5-11,14,18H,1-4H3.
What are the key properties of N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline?
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-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]-3-methylaniline is sourced from PubChem (CID 43755641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).