N-[(5-bromo-6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine

C19H18BrNO — CID 18505342

IUPACN-[(5-bromo-6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
SMILESCOc1ccc2cc(CNCc3ccccc3)ccc2c1Br
InChIInChI=1S/C19H18BrNO/c1-22-18-10-8-16-11-15(7-9-17(16)19(18)20)13-21-12-14-5-3-2-4-6-14/h2-11,21H,12-13H2,1H3
InChIKeyDQDURRSWQXUNAW-UHFFFAOYSA-N
MW356.26 g/mol
LogP4.90
Rot. Bonds5

About N-[(5-bromo-6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine

N-[(5-bromo-6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine (PubChem CID 18505342) has the molecular formula C19H18BrNO and a molecular weight of 356.26 g/mol. Its IUPAC name is N-[(5-bromo-6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(5-bromo-6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
PubChem CID18505342
Molecular FormulaC19H18BrNO
Molecular Weight356.26 g/mol
Exact Mass355.06
IUPAC NameN-[(5-bromo-6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
SMILESCOc1ccc2cc(CNCc3ccccc3)ccc2c1Br
InChIInChI=1S/C19H18BrNO/c1-22-18-10-8-16-11-15(7-9-17(16)19(18)20)13-21-12-14-5-3-2-4-6-14/h2-11,21H,12-13H2,1H3
InChIKeyDQDURRSWQXUNAW-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(5-bromo-6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine (CID 18505342) is N-[(5-bromo-6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(5-bromo-6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(5-bromo-6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine is COc1ccc2cc(CNCc3ccccc3)ccc2c1Br.
What is the InChIKey of N-[(5-bromo-6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine?
The InChIKey is DQDURRSWQXUNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO/c1-22-18-10-8-16-11-15(7-9-17(16)19(18)20)13-21-12-14-5-3-2-4-6-14/h2-11,21H,12-13H2,1H3.
What are the key properties of N-[(5-bromo-6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine?
N-[(5-bromo-6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine has a molecular weight of 356.26 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 18505342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).