1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine

C14H22BrNO — CID 105087467

IUPAC1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine
SMILESCCOCCCC(Cc1ccccc1Br)NC
InChIInChI=1S/C14H22BrNO/c1-3-17-10-6-8-13(16-2)11-12-7-4-5-9-14(12)15/h4-5,7,9,13,16H,3,6,8,10-11H2,1-2H3
InChIKeyJYVPGXLOEYUEGL-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.40
Rot. Bonds8

About 1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine

1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine (PubChem CID 105087467) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine
PubChem CID105087467
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine
SMILESCCOCCCC(Cc1ccccc1Br)NC
InChIInChI=1S/C14H22BrNO/c1-3-17-10-6-8-13(16-2)11-12-7-4-5-9-14(12)15/h4-5,7,9,13,16H,3,6,8,10-11H2,1-2H3
InChIKeyJYVPGXLOEYUEGL-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.40
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-ethoxy-N-methyl-1-phenylpentan-2-amine
CID 105084642
[1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105283966
2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine
CID 65180423
1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine
CID 106273617
5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine
CID 105188238
1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine
CID 105157358
4-ethoxy-N-methyl-1-(2-nitrophenyl)butan-2-amine
CID 61078393
1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105087512
2-[(2-bromophenyl)methyl]-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62514231
4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-2-amine
CID 105180616
4-ethoxy-N-methyl-1-quinolin-4-ylbutan-2-amine
CID 105159304
2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine
CID 62515977

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine (CID 105087467) is 1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine is CCOCCCC(Cc1ccccc1Br)NC.
What is the InChIKey of 1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine?
The InChIKey is JYVPGXLOEYUEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-3-17-10-6-8-13(16-2)11-12-7-4-5-9-14(12)15/h4-5,7,9,13,16H,3,6,8,10-11H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine?
1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine has a molecular weight of 300.24 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine is sourced from PubChem (CID 105087467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).