2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine

C17H28BrNO — CID 65180423

IUPAC2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine
SMILESCCOCCCC(CNC(C)C)Cc1ccccc1Br
InChIInChI=1S/C17H28BrNO/c1-4-20-11-7-8-15(13-19-14(2)3)12-16-9-5-6-10-17(16)18/h5-6,9-10,14-15,19H,4,7-8,11-13H2,1-3H3
InChIKeyOQJMUNJPFZFPTH-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.42
Rot. Bonds10

About 2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine

2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine (PubChem CID 65180423) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine
PubChem CID65180423
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC Name2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine
SMILESCCOCCCC(CNC(C)C)Cc1ccccc1Br
InChIInChI=1S/C17H28BrNO/c1-4-20-11-7-8-15(13-19-14(2)3)12-16-9-5-6-10-17(16)18/h5-6,9-10,14-15,19H,4,7-8,11-13H2,1-3H3
InChIKeyOQJMUNJPFZFPTH-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
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

1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine
CID 105087467
2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine
CID 62515977
2-[(2-bromophenyl)methyl]-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62514231
2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 62718705
5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 65181083
2-[(2-bromophenyl)methyl]-N-methyl-4-(3-methylbutoxy)butan-1-amine
CID 62516836
N-[2-[(2-bromophenyl)methyl]-4-butoxybutyl]cyclopropanamine
CID 62514411
1-[2-(bromomethyl)-5-ethoxypentyl]-2-methylbenzene
CID 66041741
2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 55196988
2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine
CID 55221533
2-[(2-bromophenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83168303
2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 103984394

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine (CID 65180423) is 2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine is CCOCCCC(CNC(C)C)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine?
The InChIKey is OQJMUNJPFZFPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-4-20-11-7-8-15(13-19-14(2)3)12-16-9-5-6-10-17(16)18/h5-6,9-10,14-15,19H,4,7-8,11-13H2,1-3H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine?
2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine has a molecular weight of 342.32 g/mol, XLogP of 4.42, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 65180423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).