2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine

C17H28BrNO — CID 79437803

IUPAC2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
SMILESCCOCCCC(CNCC(C)C)c1ccc(Br)cc1
InChIInChI=1S/C17H28BrNO/c1-4-20-11-5-6-16(13-19-12-14(2)3)15-7-9-17(18)10-8-15/h7-10,14,16,19H,4-6,11-13H2,1-3H3
InChIKeySVNYDSYTQSXCCS-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.59
Rot. Bonds10

About 2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine

2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine (PubChem CID 79437803) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
PubChem CID79437803
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC Name2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
SMILESCCOCCCC(CNCC(C)C)c1ccc(Br)cc1
InChIInChI=1S/C17H28BrNO/c1-4-20-11-5-6-16(13-19-12-14(2)3)15-7-9-17(18)10-8-15/h7-10,14,16,19H,4-6,11-13H2,1-3H3
InChIKeySVNYDSYTQSXCCS-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 54.59
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-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine
CID 104649474
2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine
CID 79438543
2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
CID 79443619
5-ethoxy-N-ethyl-2-phenylpentan-1-amine
CID 65430782
2-(4-bromophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79431850
2-[(4-bromophenyl)methyl]-4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 62516439
2-(4-bromophenyl)-N-tert-butyl-4-ethoxybutan-1-amine
CID 79438359
2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine
CID 79437714
2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 79437253
2-(4-bromophenyl)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183685
2-(4-bromophenyl)-N-ethylundecan-1-amine
CID 79433070
2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine
CID 55036521

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine (CID 79437803) is 2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine is CCOCCCC(CNCC(C)C)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is SVNYDSYTQSXCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-4-20-11-5-6-16(13-19-12-14(2)3)15-7-9-17(18)10-8-15/h7-10,14,16,19H,4-6,11-13H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine?
2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 342.32 g/mol, XLogP of 4.59, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 79437803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).