1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine

C15H18BrNO — CID 105013461

IUPAC1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H18BrNO/c1-10(2)18-9-15(17)13-4-3-12-8-14(16)6-5-11(12)7-13/h3-8,10,15H,9,17H2,1-2H3
InChIKeyHRXWELPCYZLXJR-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.03
Rot. Bonds4

About 1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine

1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine (PubChem CID 105013461) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine
PubChem CID105013461
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H18BrNO/c1-10(2)18-9-15(17)13-4-3-12-8-14(16)6-5-11(12)7-13/h3-8,10,15H,9,17H2,1-2H3
InChIKeyHRXWELPCYZLXJR-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine
CID 43184504
1-(2,4-dibromophenyl)-2-propan-2-yloxyethanamine
CID 107946374
1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine
CID 105055131
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-propan-2-yloxyethanamine
CID 105013086
2-butan-2-yloxy-1-naphthalen-2-ylethanamine
CID 54944139
2-propan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 43184569
2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine
CID 43105278
1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-amine
CID 115821025
1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine
CID 115354107
1-naphthalen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275229
1-(6-bromonaphthalen-2-yl)-4-ethylsulfonylbutan-1-amine
CID 104986238
1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine
CID 115354108

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine (CID 105013461) is 1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine is CC(C)OCC(N)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine?
The InChIKey is HRXWELPCYZLXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-10(2)18-9-15(17)13-4-3-12-8-14(16)6-5-11(12)7-13/h3-8,10,15H,9,17H2,1-2H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine?
1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine has a molecular weight of 308.22 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 105013461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).