2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine

C17H28BrNO — CID 63503519

IUPAC2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine
SMILESCCCCCC(CNCCOC)Cc1ccc(Br)cc1
InChIInChI=1S/C17H28BrNO/c1-3-4-5-6-16(14-19-11-12-20-2)13-15-7-9-17(18)10-8-15/h7-10,16,19H,3-6,11-14H2,1-2H3
InChIKeyUYTZEZYTYJCGBC-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.42
Rot. Bonds11

About 2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine

2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine (PubChem CID 63503519) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine
PubChem CID63503519
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC Name2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine
SMILESCCCCCC(CNCCOC)Cc1ccc(Br)cc1
InChIInChI=1S/C17H28BrNO/c1-3-4-5-6-16(14-19-11-12-20-2)13-15-7-9-17(18)10-8-15/h7-10,16,19H,3-6,11-14H2,1-2H3
InChIKeyUYTZEZYTYJCGBC-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 54.42
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

2-benzyl-N-(2-methoxyethyl)hexan-1-amine
CID 62725458
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362
2-[(4-bromophenyl)methyl]-N-methylundecan-1-amine
CID 63521360
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 62720076
2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine
CID 104649200
N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63503350
2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine
CID 62718053
2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine
CID 63502143
2-benzyl-N-propylheptan-1-amine
CID 63496184
2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine
CID 62514878
1-bromo-4-[2-(bromomethyl)decyl]benzene
CID 66042495
2-[(3-bromophenyl)methyl]-N-propylheptan-1-amine
CID 63521929

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine (CID 63503519) is 2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine is CCCCCC(CNCCOC)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine?
The InChIKey is UYTZEZYTYJCGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-3-4-5-6-16(14-19-11-12-20-2)13-15-7-9-17(18)10-8-15/h7-10,16,19H,3-6,11-14H2,1-2H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine?
2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine has a molecular weight of 342.32 g/mol, XLogP of 4.42, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine is sourced from PubChem (CID 63503519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).