1-(1-methylpyrrol-3-yl)-N-phenylmethoxymethanamine

C13H16N2O — CID 82709493

IUPAC1-(1-methylpyrrol-3-yl)-N-phenylmethoxymethanamine
SMILESCn1ccc(CNOCc2ccccc2)c1
InChIInChI=1S/C13H16N2O/c1-15-8-7-13(10-15)9-14-16-11-12-5-3-2-4-6-12/h2-8,10,14H,9,11H2,1H3
InChIKeyNJKLACJBULCSKL-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.25
Rot. Bonds5

About 1-(1-methylpyrrol-3-yl)-N-phenylmethoxymethanamine

1-(1-methylpyrrol-3-yl)-N-phenylmethoxymethanamine (PubChem CID 82709493) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(1-methylpyrrol-3-yl)-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-(1-methylpyrrol-3-yl)-N-phenylmethoxymethanamine
PubChem CID82709493
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(1-methylpyrrol-3-yl)-N-phenylmethoxymethanamine
SMILESCn1ccc(CNOCc2ccccc2)c1
InChIInChI=1S/C13H16N2O/c1-15-8-7-13(10-15)9-14-16-11-12-5-3-2-4-6-12/h2-8,10,14H,9,11H2,1H3
InChIKeyNJKLACJBULCSKL-UHFFFAOYSA-N
XLogP2.25
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylphenyl)-N-phenylmethoxymethanamine
CID 64974535
N-phenylmethoxy-1-(1-propylpyrazol-4-yl)methanamine
CID 103571612
N-[(1-methylpyrrol-3-yl)methyl]-1-phenylpropan-2-amine
CID 66398787
1-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-phenylmethoxymethanamine
CID 64974387
N-phenylmethoxy-1-thiophen-3-ylmethanamine
CID 64974208
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine
CID 115867947
N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine
CID 82708959
1-(3-ethoxyphenyl)-N-phenylmethoxymethanamine
CID 82708969
1-(2-ethylpyrazol-3-yl)-N-phenylmethoxymethanamine
CID 114556010
1-[(1-methylpyrrol-3-yl)methylamino]-2-phenylpropan-2-ol
CID 111696288
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine
CID 113341793
1-(5-ethylfuran-2-yl)-N-phenylmethoxymethanamine
CID 82709697

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-3-yl)-N-phenylmethoxymethanamine?
The IUPAC name of 1-(1-methylpyrrol-3-yl)-N-phenylmethoxymethanamine (CID 82709493) is 1-(1-methylpyrrol-3-yl)-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-(1-methylpyrrol-3-yl)-N-phenylmethoxymethanamine?
The canonical SMILES for 1-(1-methylpyrrol-3-yl)-N-phenylmethoxymethanamine is Cn1ccc(CNOCc2ccccc2)c1.
What is the InChIKey of 1-(1-methylpyrrol-3-yl)-N-phenylmethoxymethanamine?
The InChIKey is NJKLACJBULCSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15-8-7-13(10-15)9-14-16-11-12-5-3-2-4-6-12/h2-8,10,14H,9,11H2,1H3.
What are the key properties of 1-(1-methylpyrrol-3-yl)-N-phenylmethoxymethanamine?
1-(1-methylpyrrol-3-yl)-N-phenylmethoxymethanamine has a molecular weight of 216.28 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-3-yl)-N-phenylmethoxymethanamine is sourced from PubChem (CID 82709493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).