[2-[(6-bromonaphthalen-2-yl)oxymethyl]phenyl]methanamine

C18H16BrNO — CID 43531181

IUPAC[2-[(6-bromonaphthalen-2-yl)oxymethyl]phenyl]methanamine
SMILESNCc1ccccc1COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H16BrNO/c19-17-7-5-14-10-18(8-6-13(14)9-17)21-12-16-4-2-1-3-15(16)11-20/h1-10H,11-12,20H2
InChIKeyNJCMBVCRNJKWMX-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.64
Rot. Bonds4

About [2-[(6-bromonaphthalen-2-yl)oxymethyl]phenyl]methanamine

[2-[(6-bromonaphthalen-2-yl)oxymethyl]phenyl]methanamine (PubChem CID 43531181) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is [2-[(6-bromonaphthalen-2-yl)oxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(6-bromonaphthalen-2-yl)oxymethyl]phenyl]methanamine
PubChem CID43531181
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name[2-[(6-bromonaphthalen-2-yl)oxymethyl]phenyl]methanamine
SMILESNCc1ccccc1COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H16BrNO/c19-17-7-5-14-10-18(8-6-13(14)9-17)21-12-16-4-2-1-3-15(16)11-20/h1-10H,11-12,20H2
InChIKeyNJCMBVCRNJKWMX-UHFFFAOYSA-N
XLogP4.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(6-bromonaphthalen-2-yl)oxymethyl]phenyl]methanamine?
The IUPAC name of [2-[(6-bromonaphthalen-2-yl)oxymethyl]phenyl]methanamine (CID 43531181) is [2-[(6-bromonaphthalen-2-yl)oxymethyl]phenyl]methanamine.
What is the SMILES notation for [2-[(6-bromonaphthalen-2-yl)oxymethyl]phenyl]methanamine?
The canonical SMILES for [2-[(6-bromonaphthalen-2-yl)oxymethyl]phenyl]methanamine is NCc1ccccc1COc1ccc2cc(Br)ccc2c1.
What is the InChIKey of [2-[(6-bromonaphthalen-2-yl)oxymethyl]phenyl]methanamine?
The InChIKey is NJCMBVCRNJKWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO/c19-17-7-5-14-10-18(8-6-13(14)9-17)21-12-16-4-2-1-3-15(16)11-20/h1-10H,11-12,20H2.
What are the key properties of [2-[(6-bromonaphthalen-2-yl)oxymethyl]phenyl]methanamine?
[2-[(6-bromonaphthalen-2-yl)oxymethyl]phenyl]methanamine has a molecular weight of 342.24 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-bromonaphthalen-2-yl)oxymethyl]phenyl]methanamine is sourced from PubChem (CID 43531181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).