N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(4-methoxyphenyl)methanamine

C15H20N2O — CID 100792221

IUPACN-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCCc1ccc(CNCc2ccc(OC)cc2)[nH]1
InChIInChI=1S/C15H20N2O/c1-3-13-6-7-14(17-13)11-16-10-12-4-8-15(18-2)9-5-12/h4-9,16-17H,3,10-11H2,1-2H3
InChIKeyAAOOTZPJEOQFAK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.88
Rot. Bonds6

About N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(4-methoxyphenyl)methanamine

N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(4-methoxyphenyl)methanamine (PubChem CID 100792221) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(4-methoxyphenyl)methanamine
PubChem CID100792221
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCCc1ccc(CNCc2ccc(OC)cc2)[nH]1
InChIInChI=1S/C15H20N2O/c1-3-13-6-7-14(17-13)11-16-10-12-4-8-15(18-2)9-5-12/h4-9,16-17H,3,10-11H2,1-2H3
InChIKeyAAOOTZPJEOQFAK-UHFFFAOYSA-N
XLogP2.88
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(4-methoxyphenyl)methanamine?
The IUPAC name of N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(4-methoxyphenyl)methanamine (CID 100792221) is N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(4-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(4-methoxyphenyl)methanamine?
The canonical SMILES for N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(4-methoxyphenyl)methanamine is CCc1ccc(CNCc2ccc(OC)cc2)[nH]1.
What is the InChIKey of N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(4-methoxyphenyl)methanamine?
The InChIKey is AAOOTZPJEOQFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-13-6-7-14(17-13)11-16-10-12-4-8-15(18-2)9-5-12/h4-9,16-17H,3,10-11H2,1-2H3.
What are the key properties of N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(4-methoxyphenyl)methanamine?
N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(4-methoxyphenyl)methanamine has a molecular weight of 244.34 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 100792221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).