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

C15H20N2O2 — CID 79091158

IUPACN-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]pyrrol-1-amine
SMILESCOCc1cc(C(C)Nn2cccc2)ccc1OC
InChIInChI=1S/C15H20N2O2/c1-12(16-17-8-4-5-9-17)13-6-7-15(19-3)14(10-13)11-18-2/h4-10,12,16H,11H2,1-3H3
InChIKeyOWMLSWPNAXYTHZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.95
Rot. Bonds6

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

N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]pyrrol-1-amine (PubChem CID 79091158) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]pyrrol-1-amine
PubChem CID79091158
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]pyrrol-1-amine
SMILESCOCc1cc(C(C)Nn2cccc2)ccc1OC
InChIInChI=1S/C15H20N2O2/c1-12(16-17-8-4-5-9-17)13-6-7-15(19-3)14(10-13)11-18-2/h4-10,12,16H,11H2,1-3H3
InChIKeyOWMLSWPNAXYTHZ-UHFFFAOYSA-N
XLogP2.95
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-4-methylpiperazin-1-amine
CID 83010256
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline
CID 43514886
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylsulfanylpropan-1-amine
CID 115895571
N-(furan-3-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 115711465
2-fluoro-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline
CID 43514914
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
1-cyclopropyl-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-2-amine
CID 63989729
3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol
CID 65107832

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]pyrrol-1-amine?
The IUPAC name of N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]pyrrol-1-amine (CID 79091158) is N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]pyrrol-1-amine.
What is the SMILES notation for N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]pyrrol-1-amine?
The canonical SMILES for N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]pyrrol-1-amine is COCc1cc(C(C)Nn2cccc2)ccc1OC.
What is the InChIKey of N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]pyrrol-1-amine?
The InChIKey is OWMLSWPNAXYTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12(16-17-8-4-5-9-17)13-6-7-15(19-3)14(10-13)11-18-2/h4-10,12,16H,11H2,1-3H3.
What are the key properties of N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]pyrrol-1-amine?
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]pyrrol-1-amine has a molecular weight of 260.34 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]pyrrol-1-amine is sourced from PubChem (CID 79091158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).