N-(naphthalen-2-ylmethyl)-1H-pyrrol-3-amine

C15H14N2 — CID 141147777

IUPACN-(naphthalen-2-ylmethyl)-1H-pyrrol-3-amine
SMILESc1ccc2cc(CNc3cc[nH]c3)ccc2c1
InChIInChI=1S/C15H14N2/c1-2-4-14-9-12(5-6-13(14)3-1)10-17-15-7-8-16-11-15/h1-9,11,16-17H,10H2
InChIKeyGRCBFFIEZBWFGV-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.78
Rot. Bonds3

About N-(naphthalen-2-ylmethyl)-1H-pyrrol-3-amine

N-(naphthalen-2-ylmethyl)-1H-pyrrol-3-amine (PubChem CID 141147777) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethyl)-1H-pyrrol-3-amine.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethyl)-1H-pyrrol-3-amine
PubChem CID141147777
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC NameN-(naphthalen-2-ylmethyl)-1H-pyrrol-3-amine
SMILESc1ccc2cc(CNc3cc[nH]c3)ccc2c1
InChIInChI=1S/C15H14N2/c1-2-4-14-9-12(5-6-13(14)3-1)10-17-15-7-8-16-11-15/h1-9,11,16-17H,10H2
InChIKeyGRCBFFIEZBWFGV-UHFFFAOYSA-N
XLogP3.78
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethyl)-1H-pyrrol-3-amine?
The IUPAC name of N-(naphthalen-2-ylmethyl)-1H-pyrrol-3-amine (CID 141147777) is N-(naphthalen-2-ylmethyl)-1H-pyrrol-3-amine.
What is the SMILES notation for N-(naphthalen-2-ylmethyl)-1H-pyrrol-3-amine?
The canonical SMILES for N-(naphthalen-2-ylmethyl)-1H-pyrrol-3-amine is c1ccc2cc(CNc3cc[nH]c3)ccc2c1.
What is the InChIKey of N-(naphthalen-2-ylmethyl)-1H-pyrrol-3-amine?
The InChIKey is GRCBFFIEZBWFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-2-4-14-9-12(5-6-13(14)3-1)10-17-15-7-8-16-11-15/h1-9,11,16-17H,10H2.
What are the key properties of N-(naphthalen-2-ylmethyl)-1H-pyrrol-3-amine?
N-(naphthalen-2-ylmethyl)-1H-pyrrol-3-amine has a molecular weight of 222.29 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylmethyl)-1H-pyrrol-3-amine is sourced from PubChem (CID 141147777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).