[2-(6-bromonaphthalen-2-yl)oxy-3-methylphenyl]methanamine

C18H16BrNO — CID 107105947

IUPAC[2-(6-bromonaphthalen-2-yl)oxy-3-methylphenyl]methanamine
SMILESCc1cccc(CN)c1Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H16BrNO/c1-12-3-2-4-15(11-20)18(12)21-17-8-6-13-9-16(19)7-5-14(13)10-17/h2-10H,11,20H2,1H3
InChIKeyFTUBDGVZHTYIJP-UHFFFAOYSA-N
MW342.24 g/mol
LogP5.16
Rot. Bonds3

About [2-(6-bromonaphthalen-2-yl)oxy-3-methylphenyl]methanamine

[2-(6-bromonaphthalen-2-yl)oxy-3-methylphenyl]methanamine (PubChem CID 107105947) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is [2-(6-bromonaphthalen-2-yl)oxy-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(6-bromonaphthalen-2-yl)oxy-3-methylphenyl]methanamine
PubChem CID107105947
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name[2-(6-bromonaphthalen-2-yl)oxy-3-methylphenyl]methanamine
SMILESCc1cccc(CN)c1Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H16BrNO/c1-12-3-2-4-15(11-20)18(12)21-17-8-6-13-9-16(19)7-5-14(13)10-17/h2-10H,11,20H2,1H3
InChIKeyFTUBDGVZHTYIJP-UHFFFAOYSA-N
XLogP5.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.24
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-2-naphthalen-2-yloxyphenyl)methanamine
CID 107105912
(6-bromo-3-methylnaphthalen-2-yl)methanamine
CID 20595135
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607529
(4-bromo-2-naphthalen-2-yloxyphenyl)methanamine
CID 43364990
4-(6-bromonaphthalen-2-yl)oxy-2-methylaniline
CID 43436384
[2-(2,5-dimethylphenoxy)-3-methylphenyl]methanamine
CID 107105904
[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine
CID 114889855
2-(6-bromonaphthalen-2-yl)oxy-3-methylpyridine
CID 63530476
(3-methyl-2-phosphanyloxyphenyl)methanamine
CID 143384001
[4-(6-bromonaphthalen-2-yl)oxy-3-pyridinyl]methanamine
CID 81251221
(6-bromo-1-methylnaphthalen-2-yl)methanamine
CID 115057582
acetic acid;7-bromo-1-methylnaphthalene
CID 67781344

Frequently Asked Questions

What is the IUPAC name of [2-(6-bromonaphthalen-2-yl)oxy-3-methylphenyl]methanamine?
The IUPAC name of [2-(6-bromonaphthalen-2-yl)oxy-3-methylphenyl]methanamine (CID 107105947) is [2-(6-bromonaphthalen-2-yl)oxy-3-methylphenyl]methanamine.
What is the SMILES notation for [2-(6-bromonaphthalen-2-yl)oxy-3-methylphenyl]methanamine?
The canonical SMILES for [2-(6-bromonaphthalen-2-yl)oxy-3-methylphenyl]methanamine is Cc1cccc(CN)c1Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of [2-(6-bromonaphthalen-2-yl)oxy-3-methylphenyl]methanamine?
The InChIKey is FTUBDGVZHTYIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO/c1-12-3-2-4-15(11-20)18(12)21-17-8-6-13-9-16(19)7-5-14(13)10-17/h2-10H,11,20H2,1H3.
What are the key properties of [2-(6-bromonaphthalen-2-yl)oxy-3-methylphenyl]methanamine?
[2-(6-bromonaphthalen-2-yl)oxy-3-methylphenyl]methanamine has a molecular weight of 342.24 g/mol, XLogP of 5.16, 3 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)oxy-3-methylphenyl]methanamine is sourced from PubChem (CID 107105947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).