N-methyl-1-phenyl-N-(1H-pyrrol-2-ylmethyl)methanamine

C13H16N2 — CID 11805737

IUPACN-methyl-1-phenyl-N-(1H-pyrrol-2-ylmethyl)methanamine
SMILESCN(Cc1ccccc1)Cc1ccc[nH]1
InChIInChI=1S/C13H16N2/c1-15(11-13-8-5-9-14-13)10-12-6-3-2-4-7-12/h2-9,14H,10-11H2,1H3
InChIKeyXQZWJHDHWFGAPS-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.65
Rot. Bonds4

About N-methyl-1-phenyl-N-(1H-pyrrol-2-ylmethyl)methanamine

N-methyl-1-phenyl-N-(1H-pyrrol-2-ylmethyl)methanamine (PubChem CID 11805737) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-(1H-pyrrol-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-(1H-pyrrol-2-ylmethyl)methanamine
PubChem CID11805737
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC NameN-methyl-1-phenyl-N-(1H-pyrrol-2-ylmethyl)methanamine
SMILESCN(Cc1ccccc1)Cc1ccc[nH]1
InChIInChI=1S/C13H16N2/c1-15(11-13-8-5-9-14-13)10-12-6-3-2-4-7-12/h2-9,14H,10-11H2,1H3
InChIKeyXQZWJHDHWFGAPS-UHFFFAOYSA-N
XLogP2.65
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-(1H-pyrrol-2-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-phenyl-N-(1H-pyrrol-2-ylmethyl)methanamine (CID 11805737) is N-methyl-1-phenyl-N-(1H-pyrrol-2-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-phenyl-N-(1H-pyrrol-2-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-phenyl-N-(1H-pyrrol-2-ylmethyl)methanamine is CN(Cc1ccccc1)Cc1ccc[nH]1.
What is the InChIKey of N-methyl-1-phenyl-N-(1H-pyrrol-2-ylmethyl)methanamine?
The InChIKey is XQZWJHDHWFGAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-15(11-13-8-5-9-14-13)10-12-6-3-2-4-7-12/h2-9,14H,10-11H2,1H3.
What are the key properties of N-methyl-1-phenyl-N-(1H-pyrrol-2-ylmethyl)methanamine?
N-methyl-1-phenyl-N-(1H-pyrrol-2-ylmethyl)methanamine has a molecular weight of 200.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-(1H-pyrrol-2-ylmethyl)methanamine is sourced from PubChem (CID 11805737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).