N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine

C17H22BrNO — CID 63517046

IUPACN-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCCOc1ccc2ccccc2c1Br
InChIInChI=1S/C17H22BrNO/c1-12(2)13(3)19-10-11-20-16-9-8-14-6-4-5-7-15(14)17(16)18/h4-9,12-13,19H,10-11H2,1-3H3
InChIKeyCLYCPUGGBIIQRO-UHFFFAOYSA-N
MW336.27 g/mol
LogP4.62
Rot. Bonds6

About N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine

N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine (PubChem CID 63517046) has the molecular formula C17H22BrNO and a molecular weight of 336.27 g/mol. Its IUPAC name is N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine
PubChem CID63517046
Molecular FormulaC17H22BrNO
Molecular Weight336.27 g/mol
Exact Mass335.09
IUPAC NameN-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCCOc1ccc2ccccc2c1Br
InChIInChI=1S/C17H22BrNO/c1-12(2)13(3)19-10-11-20-16-9-8-14-6-4-5-7-15(14)17(16)18/h4-9,12-13,19H,10-11H2,1-3H3
InChIKeyCLYCPUGGBIIQRO-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-nonoxynaphthalene
CID 63529773
1-bromo-2-(2-propoxyethoxy)naphthalene
CID 106452980
1-bromo-2-(3-methylbut-3-enoxy)naphthalene
CID 114472659
N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methylbutan-2-amine
CID 62570987
N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine;oxalic acid
CID 2949268
4-(1-bromonaphthalen-2-yl)oxy-N-butylbutan-1-amine;oxalic acid
CID 2923347
N-[2-(2,4-difluorophenoxy)ethyl]-3-methylbutan-2-amine
CID 55088305
N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylbutan-2-amine
CID 60690280
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-2-methylimidazole
CID 61493455
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyethyl)propan-1-amine
CID 62598270
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine?
The IUPAC name of N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine (CID 63517046) is N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine is CC(C)C(C)NCCOc1ccc2ccccc2c1Br.
What is the InChIKey of N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine?
The InChIKey is CLYCPUGGBIIQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO/c1-12(2)13(3)19-10-11-20-16-9-8-14-6-4-5-7-15(14)17(16)18/h4-9,12-13,19H,10-11H2,1-3H3.
What are the key properties of N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine?
N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine has a molecular weight of 336.27 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine is sourced from PubChem (CID 63517046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).