N-[1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine

C18H26N2O — CID 79108694

IUPACN-[1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccn1Cc1cc(C)ccc1OC
InChIInChI=1S/C18H26N2O/c1-5-10-19-15(3)17-7-6-11-20(17)13-16-12-14(2)8-9-18(16)21-4/h6-9,11-12,15,19H,5,10,13H2,1-4H3
InChIKeyURJPUEIFYIYAED-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.91
Rot. Bonds7

About N-[1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine

N-[1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine (PubChem CID 79108694) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
PubChem CID79108694
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccn1Cc1cc(C)ccc1OC
InChIInChI=1S/C18H26N2O/c1-5-10-19-15(3)17-7-6-11-20(17)13-16-12-14(2)8-9-18(16)21-4/h6-9,11-12,15,19H,5,10,13H2,1-4H3
InChIKeyURJPUEIFYIYAED-UHFFFAOYSA-N
XLogP3.91
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 104792966
N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79102768
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038
1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine
CID 62160648
N-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine
CID 79108703
1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693208
N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79101579
N-[2-(2-methoxy-5-methylphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 82887282
N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine
CID 43406677
N-ethyl-1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79109629
1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine
CID 115826522
N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 64984134

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine (CID 79108694) is N-[1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1cccn1Cc1cc(C)ccc1OC.
What is the InChIKey of N-[1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
The InChIKey is URJPUEIFYIYAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-10-19-15(3)17-7-6-11-20(17)13-16-12-14(2)8-9-18(16)21-4/h6-9,11-12,15,19H,5,10,13H2,1-4H3.
What are the key properties of N-[1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
N-[1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79108694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).