3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine

C16H20BrNO — CID 62459947

IUPAC3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H20BrNO/c1-3-18-10-12(2)11-19-16-7-5-13-8-15(17)6-4-14(13)9-16/h4-9,12,18H,3,10-11H2,1-2H3
InChIKeyGFJFLWGQTNJBDW-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.23
Rot. Bonds6

About 3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine

3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine (PubChem CID 62459947) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine
PubChem CID62459947
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H20BrNO/c1-3-18-10-12(2)11-19-16-7-5-13-8-15(17)6-4-14(13)9-16/h4-9,12,18H,3,10-11H2,1-2H3
InChIKeyGFJFLWGQTNJBDW-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-difluorophenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62486090
1-(6-bromonaphthalen-2-yl)oxypropan-2-ol
CID 65278074
2-bromo-6-[2-(bromomethyl)butoxy]naphthalene
CID 64995269
N-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine
CID 62549610
N-ethyl-3-(3-iodophenoxy)-2-methylpropan-1-amine
CID 62486582
3-(4-bromo-2-nitrophenoxy)-N-ethyl-2-methylpropan-1-amine
CID 65429816
2-bromo-7-ethoxynaphthalene
CID 22240149
N-[2-(6-bromonaphthalen-2-yl)oxypropyl]butan-1-amine
CID 63506414
N,2-dimethyl-3-naphthalen-2-yloxypropan-1-amine
CID 62459950
2-[4-[3-(ethylamino)-2-methylpropoxy]phenyl]ethanol
CID 107709363
2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 3989542
N-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
CID 119996539

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine (CID 62459947) is 3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine is CCNCC(C)COc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine?
The InChIKey is GFJFLWGQTNJBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-3-18-10-12(2)11-19-16-7-5-13-8-15(17)6-4-14(13)9-16/h4-9,12,18H,3,10-11H2,1-2H3.
What are the key properties of 3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine?
3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine has a molecular weight of 322.25 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 62459947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).