5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine

C16H26BrNO — CID 65305614

IUPAC5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
SMILESCOCCNCCCCCc1cc(C)c(Br)cc1C
InChIInChI=1S/C16H26BrNO/c1-13-12-16(17)14(2)11-15(13)7-5-4-6-8-18-9-10-19-3/h11-12,18H,4-10H2,1-3H3
InChIKeyAAZGIFLKDZRBSC-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.01
Rot. Bonds9

About 5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine

5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine (PubChem CID 65305614) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine.

Molecular Properties

Compound Name5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
PubChem CID65305614
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
SMILESCOCCNCCCCCc1cc(C)c(Br)cc1C
InChIInChI=1S/C16H26BrNO/c1-13-12-16(17)14(2)11-15(13)7-5-4-6-8-18-9-10-19-3/h11-12,18H,4-10H2,1-3H3
InChIKeyAAZGIFLKDZRBSC-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.01
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-(5-bromo-2-methoxy-4-methylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65432429
4-(4-chloro-2,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302883
6-(4-bromo-2,5-dimethylphenyl)-N-methylhexan-1-amine
CID 65306316
4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 113319723
4-(4-bromo-2,5-difluorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65303585
6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine
CID 65306343
4-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 64503065
6-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)hexan-1-amine
CID 79992354
5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65305831
3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 62603094
N-[(3-bromo-4-methylphenyl)methyl]-5-methoxypentan-1-amine
CID 103880524
4-(4-bromo-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 107726759

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine?
The IUPAC name of 5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine (CID 65305614) is 5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine.
What is the SMILES notation for 5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine?
The canonical SMILES for 5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine is COCCNCCCCCc1cc(C)c(Br)cc1C.
What is the InChIKey of 5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine?
The InChIKey is AAZGIFLKDZRBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-13-12-16(17)14(2)11-15(13)7-5-4-6-8-18-9-10-19-3/h11-12,18H,4-10H2,1-3H3.
What are the key properties of 5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine?
5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine has a molecular weight of 328.29 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine is sourced from PubChem (CID 65305614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).