N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline

C17H21NO2 — CID 43514886

IUPACN-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline
SMILESCOCc1cc(C(C)Nc2ccccc2)ccc1OC
InChIInChI=1S/C17H21NO2/c1-13(18-16-7-5-4-6-8-16)14-9-10-17(20-3)15(11-14)12-19-2/h4-11,13,18H,12H2,1-3H3
InChIKeyUPZLCXXTJOXCCA-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.01
Rot. Bonds6

About N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline

N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline (PubChem CID 43514886) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline.

Molecular Properties

Compound NameN-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline
PubChem CID43514886
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline
SMILESCOCc1cc(C(C)Nc2ccccc2)ccc1OC
InChIInChI=1S/C17H21NO2/c1-13(18-16-7-5-4-6-8-16)14-9-10-17(20-3)15(11-14)12-19-2/h4-11,13,18H,12H2,1-3H3
InChIKeyUPZLCXXTJOXCCA-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline
CID 43514914
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-5-methylpyridin-3-amine
CID 103932317
N-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline
CID 43756086
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43190042
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]pyrrol-1-amine
CID 79091158
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylsulfanylpropan-1-amine
CID 115895571
2-methoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 115728707
4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol
CID 64910692
2-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 115724331
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylbut-3-yn-2-amine
CID 63998709
N-(furan-2-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 43514878
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-3-methylsulfinylpropan-1-amine
CID 115721031

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline?
The IUPAC name of N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline (CID 43514886) is N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline.
What is the SMILES notation for N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline?
The canonical SMILES for N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline is COCc1cc(C(C)Nc2ccccc2)ccc1OC.
What is the InChIKey of N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline?
The InChIKey is UPZLCXXTJOXCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13(18-16-7-5-4-6-8-16)14-9-10-17(20-3)15(11-14)12-19-2/h4-11,13,18H,12H2,1-3H3.
What are the key properties of N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline?
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline has a molecular weight of 271.36 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline is sourced from PubChem (CID 43514886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).