(2-bromo-5-methoxyphenyl)-naphthalen-1-ylmethanamine

C18H16BrNO — CID 105141322

IUPAC(2-bromo-5-methoxyphenyl)-naphthalen-1-ylmethanamine
SMILESCOc1ccc(Br)c(C(N)c2cccc3ccccc23)c1
InChIInChI=1S/C18H16BrNO/c1-21-13-9-10-17(19)16(11-13)18(20)15-8-4-6-12-5-2-3-7-14(12)15/h2-11,18H,20H2,1H3
InChIKeyJWAPBTXQWJIJLQ-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.66
Rot. Bonds3

About (2-bromo-5-methoxyphenyl)-naphthalen-1-ylmethanamine

(2-bromo-5-methoxyphenyl)-naphthalen-1-ylmethanamine (PubChem CID 105141322) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-naphthalen-1-ylmethanamine.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-naphthalen-1-ylmethanamine
PubChem CID105141322
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name(2-bromo-5-methoxyphenyl)-naphthalen-1-ylmethanamine
SMILESCOc1ccc(Br)c(C(N)c2cccc3ccccc23)c1
InChIInChI=1S/C18H16BrNO/c1-21-13-9-10-17(19)16(11-13)18(20)15-8-4-6-12-5-2-3-7-14(12)15/h2-11,18H,20H2,1H3
InChIKeyJWAPBTXQWJIJLQ-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromophenyl)-naphthalen-1-ylmethanamine
CID 43108974
(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine
CID 105086328
(2-bromo-5-methoxyphenyl)-(2-cyclobutylphenyl)methanamine
CID 105188852
(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057
(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224399
(2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine
CID 105187905
1-(7-methoxynaphthalen-1-yl)ethanamine
CID 20542005
1-(2-bromo-5-methoxyphenyl)hex-4-yn-1-amine
CID 105181442
(2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine
CID 105396903
(2-bromo-5-methoxyphenyl)-isoquinolin-8-ylmethanol
CID 103139035
(1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171204828
2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-methoxybenzamide
CID 95367204

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-naphthalen-1-ylmethanamine?
The IUPAC name of (2-bromo-5-methoxyphenyl)-naphthalen-1-ylmethanamine (CID 105141322) is (2-bromo-5-methoxyphenyl)-naphthalen-1-ylmethanamine.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-naphthalen-1-ylmethanamine?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-naphthalen-1-ylmethanamine is COc1ccc(Br)c(C(N)c2cccc3ccccc23)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-naphthalen-1-ylmethanamine?
The InChIKey is JWAPBTXQWJIJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO/c1-21-13-9-10-17(19)16(11-13)18(20)15-8-4-6-12-5-2-3-7-14(12)15/h2-11,18H,20H2,1H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-naphthalen-1-ylmethanamine?
(2-bromo-5-methoxyphenyl)-naphthalen-1-ylmethanamine has a molecular weight of 342.24 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-naphthalen-1-ylmethanamine is sourced from PubChem (CID 105141322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).