(4-phenyl-1H-pyrrol-2-yl)methanamine

C11H12N2 — CID 70397534

IUPAC(4-phenyl-1H-pyrrol-2-yl)methanamine
SMILESNCc1cc(-c2ccccc2)c[nH]1
InChIInChI=1S/C11H12N2/c12-7-11-6-10(8-13-11)9-4-2-1-3-5-9/h1-6,8,13H,7,12H2
InChIKeyRBNSEDNDTRPYJV-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.14
Rot. Bonds2

About (4-phenyl-1H-pyrrol-2-yl)methanamine

(4-phenyl-1H-pyrrol-2-yl)methanamine (PubChem CID 70397534) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (4-phenyl-1H-pyrrol-2-yl)methanamine.

Molecular Properties

Compound Name(4-phenyl-1H-pyrrol-2-yl)methanamine
PubChem CID70397534
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name(4-phenyl-1H-pyrrol-2-yl)methanamine
SMILESNCc1cc(-c2ccccc2)c[nH]1
InChIInChI=1S/C11H12N2/c12-7-11-6-10(8-13-11)9-4-2-1-3-5-9/h1-6,8,13H,7,12H2
InChIKeyRBNSEDNDTRPYJV-UHFFFAOYSA-N
XLogP2.14
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-phenyl-1H-pyrrol-2-yl)methanamine?
The IUPAC name of (4-phenyl-1H-pyrrol-2-yl)methanamine (CID 70397534) is (4-phenyl-1H-pyrrol-2-yl)methanamine.
What is the SMILES notation for (4-phenyl-1H-pyrrol-2-yl)methanamine?
The canonical SMILES for (4-phenyl-1H-pyrrol-2-yl)methanamine is NCc1cc(-c2ccccc2)c[nH]1.
What is the InChIKey of (4-phenyl-1H-pyrrol-2-yl)methanamine?
The InChIKey is RBNSEDNDTRPYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c12-7-11-6-10(8-13-11)9-4-2-1-3-5-9/h1-6,8,13H,7,12H2.
What are the key properties of (4-phenyl-1H-pyrrol-2-yl)methanamine?
(4-phenyl-1H-pyrrol-2-yl)methanamine has a molecular weight of 172.23 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-1H-pyrrol-2-yl)methanamine is sourced from PubChem (CID 70397534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).