1-(3-ethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine

C15H20N2O — CID 62132043

IUPAC1-(3-ethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine
SMILESCCOc1cccc(CNCc2cccn2C)c1
InChIInChI=1S/C15H20N2O/c1-3-18-15-8-4-6-13(10-15)11-16-12-14-7-5-9-17(14)2/h4-10,16H,3,11-12H2,1-2H3
InChIKeyULYMFIDTOIZRMY-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.71
Rot. Bonds6

About 1-(3-ethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine

1-(3-ethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine (PubChem CID 62132043) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine
PubChem CID62132043
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(3-ethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine
SMILESCCOc1cccc(CNCc2cccn2C)c1
InChIInChI=1S/C15H20N2O/c1-3-18-15-8-4-6-13(10-15)11-16-12-14-7-5-9-17(14)2/h4-10,16H,3,11-12H2,1-2H3
InChIKeyULYMFIDTOIZRMY-UHFFFAOYSA-N
XLogP2.71
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 63001902
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66408093
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760835
N-[(3-ethoxyphenyl)methyl]prop-2-yn-1-amine
CID 60873507
N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 60872169
3-[[(1-methylpyrrol-2-yl)methylamino]methyl]benzenesulfonamide
CID 62131867
N-[(3-ethoxyphenyl)methyl]pentan-1-amine
CID 4717531
N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine
CID 66474852
2-(azepan-1-yl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 60956669

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine (CID 62132043) is 1-(3-ethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine is CCOc1cccc(CNCc2cccn2C)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
The InChIKey is ULYMFIDTOIZRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-18-15-8-4-6-13(10-15)11-16-12-14-7-5-9-17(14)2/h4-10,16H,3,11-12H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
1-(3-ethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine is sourced from PubChem (CID 62132043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).