N-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine

C17H18N2 — CID 66411324

IUPACN-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine
SMILESCCn1cccc1CNc1ccc2ccccc2c1
InChIInChI=1S/C17H18N2/c1-2-19-11-5-8-17(19)13-18-16-10-9-14-6-3-4-7-15(14)12-16/h3-12,18H,2,13H2,1H3
InChIKeyWKPVIBGYOLWABC-UHFFFAOYSA-N
MW250.35 g/mol
LogP4.27
Rot. Bonds4

About N-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine

N-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine (PubChem CID 66411324) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine
PubChem CID66411324
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine
SMILESCCn1cccc1CNc1ccc2ccccc2c1
InChIInChI=1S/C17H18N2/c1-2-19-11-5-8-17(19)13-18-16-10-9-14-6-3-4-7-15(14)12-16/h3-12,18H,2,13H2,1H3
InChIKeyWKPVIBGYOLWABC-UHFFFAOYSA-N
XLogP4.27
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine (CID 66411324) is N-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine is CCn1cccc1CNc1ccc2ccccc2c1.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine?
The InChIKey is WKPVIBGYOLWABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-2-19-11-5-8-17(19)13-18-16-10-9-14-6-3-4-7-15(14)12-16/h3-12,18H,2,13H2,1H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine?
N-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine has a molecular weight of 250.35 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine is sourced from PubChem (CID 66411324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).