5-(2,5-dibromophenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine

C16H25Br2NO — CID 65305047

IUPAC5-(2,5-dibromophenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine
SMILESCOCCNCCC(C)(C)CCc1cc(Br)ccc1Br
InChIInChI=1S/C16H25Br2NO/c1-16(2,8-9-19-10-11-20-3)7-6-13-12-14(17)4-5-15(13)18/h4-5,12,19H,6-11H2,1-3H3
InChIKeyGNJUMHQOZABONR-UHFFFAOYSA-N
MW407.19 g/mol
LogP4.80
Rot. Bonds9

About 5-(2,5-dibromophenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine

5-(2,5-dibromophenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine (PubChem CID 65305047) has the molecular formula C16H25Br2NO and a molecular weight of 407.19 g/mol. Its IUPAC name is 5-(2,5-dibromophenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(2,5-dibromophenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine
PubChem CID65305047
Molecular FormulaC16H25Br2NO
Molecular Weight407.19 g/mol
Exact Mass405.03
IUPAC Name5-(2,5-dibromophenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine
SMILESCOCCNCCC(C)(C)CCc1cc(Br)ccc1Br
InChIInChI=1S/C16H25Br2NO/c1-16(2,8-9-19-10-11-20-3)7-6-13-12-14(17)4-5-15(13)18/h4-5,12,19H,6-11H2,1-3H3
InChIKeyGNJUMHQOZABONR-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.19
LogP ≤ 54.80
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

5-(2,5-dibromophenyl)-N-ethyl-3,3-dimethylpentan-1-amine
CID 65304999
5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine
CID 65304461
5-(2-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine
CID 65304076
N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine
CID 65304715
N'-[(2,4-dibromophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 107938729
3-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine
CID 62724558
N-[2-(5-bromo-2-methylphenoxy)ethyl]-2-methoxyethanamine
CID 107286415
3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 62603094
4-(2,5-dibromophenyl)-N-propylbutan-1-amine
CID 65305623
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methoxyethanamine
CID 43220291
4-(3-bromothiophen-2-yl)-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 80537070
N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dibromophenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine?
The IUPAC name of 5-(2,5-dibromophenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine (CID 65305047) is 5-(2,5-dibromophenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine.
What is the SMILES notation for 5-(2,5-dibromophenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine?
The canonical SMILES for 5-(2,5-dibromophenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine is COCCNCCC(C)(C)CCc1cc(Br)ccc1Br.
What is the InChIKey of 5-(2,5-dibromophenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine?
The InChIKey is GNJUMHQOZABONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Br2NO/c1-16(2,8-9-19-10-11-20-3)7-6-13-12-14(17)4-5-15(13)18/h4-5,12,19H,6-11H2,1-3H3.
What are the key properties of 5-(2,5-dibromophenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine?
5-(2,5-dibromophenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine has a molecular weight of 407.19 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dibromophenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine is sourced from PubChem (CID 65305047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).