(2-methyl-5-pyrrol-1-ylphenyl)methanamine

C12H14N2 — CID 83636499

IUPAC(2-methyl-5-pyrrol-1-ylphenyl)methanamine
SMILESCc1ccc(-n2cccc2)cc1CN
InChIInChI=1S/C12H14N2/c1-10-4-5-12(8-11(10)9-13)14-6-2-3-7-14/h2-8H,9,13H2,1H3
InChIKeyVTCDRLVHPJALDM-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.24
Rot. Bonds2

About (2-methyl-5-pyrrol-1-ylphenyl)methanamine

(2-methyl-5-pyrrol-1-ylphenyl)methanamine (PubChem CID 83636499) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is (2-methyl-5-pyrrol-1-ylphenyl)methanamine.

Molecular Properties

Compound Name(2-methyl-5-pyrrol-1-ylphenyl)methanamine
PubChem CID83636499
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name(2-methyl-5-pyrrol-1-ylphenyl)methanamine
SMILESCc1ccc(-n2cccc2)cc1CN
InChIInChI=1S/C12H14N2/c1-10-4-5-12(8-11(10)9-13)14-6-2-3-7-14/h2-8H,9,13H2,1H3
InChIKeyVTCDRLVHPJALDM-UHFFFAOYSA-N
XLogP2.24
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-pyrrol-1-ylphenyl)methanamine?
The IUPAC name of (2-methyl-5-pyrrol-1-ylphenyl)methanamine (CID 83636499) is (2-methyl-5-pyrrol-1-ylphenyl)methanamine.
What is the SMILES notation for (2-methyl-5-pyrrol-1-ylphenyl)methanamine?
The canonical SMILES for (2-methyl-5-pyrrol-1-ylphenyl)methanamine is Cc1ccc(-n2cccc2)cc1CN.
What is the InChIKey of (2-methyl-5-pyrrol-1-ylphenyl)methanamine?
The InChIKey is VTCDRLVHPJALDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-10-4-5-12(8-11(10)9-13)14-6-2-3-7-14/h2-8H,9,13H2,1H3.
What are the key properties of (2-methyl-5-pyrrol-1-ylphenyl)methanamine?
(2-methyl-5-pyrrol-1-ylphenyl)methanamine has a molecular weight of 186.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-pyrrol-1-ylphenyl)methanamine is sourced from PubChem (CID 83636499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).