4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine

C16H18BrNO — CID 139210695

IUPAC4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine
SMILESCc1cc2ccc(Br)cc2cc1CN1CCOCC1
InChIInChI=1S/C16H18BrNO/c1-12-8-13-2-3-16(17)10-14(13)9-15(12)11-18-4-6-19-7-5-18/h2-3,8-10H,4-7,11H2,1H3
InChIKeyPZJYRAQBHYYUDE-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.74
Rot. Bonds2

About 4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine

4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine (PubChem CID 139210695) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine
PubChem CID139210695
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine
SMILESCc1cc2ccc(Br)cc2cc1CN1CCOCC1
InChIInChI=1S/C16H18BrNO/c1-12-8-13-2-3-16(17)10-14(13)9-15(12)11-18-4-6-19-7-5-18/h2-3,8-10H,4-7,11H2,1H3
InChIKeyPZJYRAQBHYYUDE-UHFFFAOYSA-N
XLogP3.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine?
The IUPAC name of 4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine (CID 139210695) is 4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine is Cc1cc2ccc(Br)cc2cc1CN1CCOCC1.
What is the InChIKey of 4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine?
The InChIKey is PZJYRAQBHYYUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-12-8-13-2-3-16(17)10-14(13)9-15(12)11-18-4-6-19-7-5-18/h2-3,8-10H,4-7,11H2,1H3.
What are the key properties of 4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine?
4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine has a molecular weight of 320.23 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine is sourced from PubChem (CID 139210695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).