[2-[4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrrol-2-yl]phenyl]methanamine

C18H19N3 — CID 174606473

IUPAC[2-[4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrrol-2-yl]phenyl]methanamine
SMILESCc1cc(-c2ccccc2CN)[nH]c1Cc1ccccn1
InChIInChI=1S/C18H19N3/c1-13-10-18(16-8-3-2-6-14(16)12-19)21-17(13)11-15-7-4-5-9-20-15/h2-10,21H,11-12,19H2,1H3
InChIKeyNCQYCSGUXXGEFU-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.43
Rot. Bonds4

About [2-[4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrrol-2-yl]phenyl]methanamine

[2-[4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrrol-2-yl]phenyl]methanamine (PubChem CID 174606473) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is [2-[4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrrol-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrrol-2-yl]phenyl]methanamine
PubChem CID174606473
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name[2-[4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrrol-2-yl]phenyl]methanamine
SMILESCc1cc(-c2ccccc2CN)[nH]c1Cc1ccccn1
InChIInChI=1S/C18H19N3/c1-13-10-18(16-8-3-2-6-14(16)12-19)21-17(13)11-15-7-4-5-9-20-15/h2-10,21H,11-12,19H2,1H3
InChIKeyNCQYCSGUXXGEFU-UHFFFAOYSA-N
XLogP3.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrrol-2-yl]phenyl]methanamine?
The IUPAC name of [2-[4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrrol-2-yl]phenyl]methanamine (CID 174606473) is [2-[4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrrol-2-yl]phenyl]methanamine.
What is the SMILES notation for [2-[4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrrol-2-yl]phenyl]methanamine?
The canonical SMILES for [2-[4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrrol-2-yl]phenyl]methanamine is Cc1cc(-c2ccccc2CN)[nH]c1Cc1ccccn1.
What is the InChIKey of [2-[4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrrol-2-yl]phenyl]methanamine?
The InChIKey is NCQYCSGUXXGEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-10-18(16-8-3-2-6-14(16)12-19)21-17(13)11-15-7-4-5-9-20-15/h2-10,21H,11-12,19H2,1H3.
What are the key properties of [2-[4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrrol-2-yl]phenyl]methanamine?
[2-[4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrrol-2-yl]phenyl]methanamine has a molecular weight of 277.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrrol-2-yl]phenyl]methanamine is sourced from PubChem (CID 174606473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).