5-ethoxy-N-methyl-1-phenylpentan-2-amine

C14H23NO — CID 105084642

IUPAC5-ethoxy-N-methyl-1-phenylpentan-2-amine
SMILESCCOCCCC(Cc1ccccc1)NC
InChIInChI=1S/C14H23NO/c1-3-16-11-7-10-14(15-2)12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3
InChIKeyVWUFQXVWHASCNA-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.63
Rot. Bonds8

About 5-ethoxy-N-methyl-1-phenylpentan-2-amine

5-ethoxy-N-methyl-1-phenylpentan-2-amine (PubChem CID 105084642) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 5-ethoxy-N-methyl-1-phenylpentan-2-amine.

Molecular Properties

Compound Name5-ethoxy-N-methyl-1-phenylpentan-2-amine
PubChem CID105084642
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name5-ethoxy-N-methyl-1-phenylpentan-2-amine
SMILESCCOCCCC(Cc1ccccc1)NC
InChIInChI=1S/C14H23NO/c1-3-16-11-7-10-14(15-2)12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3
InChIKeyVWUFQXVWHASCNA-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.63
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
N-methyl-1-phenyl-4-propoxybutan-2-amine
CID 105084507
N-methyl-1-phenyldecan-2-amine
CID 63412341
1-ethoxy-N-ethyl-7-phenylheptan-4-amine
CID 105139776
2-benzyl-5-ethoxypentan-1-amine
CID 65180415
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine
CID 105188238
2-(2-ethoxyethylamino)-3-phenylpropan-1-ol
CID 63261508
[1-(3-chlorophenyl)-5-ethoxypentan-2-yl]hydrazine
CID 105283444
1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine
CID 105157358
1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine
CID 106273617
6-methoxy-N-methyl-1-phenylhexan-3-amine
CID 62602732

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-methyl-1-phenylpentan-2-amine?
The IUPAC name of 5-ethoxy-N-methyl-1-phenylpentan-2-amine (CID 105084642) is 5-ethoxy-N-methyl-1-phenylpentan-2-amine.
What is the SMILES notation for 5-ethoxy-N-methyl-1-phenylpentan-2-amine?
The canonical SMILES for 5-ethoxy-N-methyl-1-phenylpentan-2-amine is CCOCCCC(Cc1ccccc1)NC.
What is the InChIKey of 5-ethoxy-N-methyl-1-phenylpentan-2-amine?
The InChIKey is VWUFQXVWHASCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-16-11-7-10-14(15-2)12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3.
What are the key properties of 5-ethoxy-N-methyl-1-phenylpentan-2-amine?
5-ethoxy-N-methyl-1-phenylpentan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-methyl-1-phenylpentan-2-amine is sourced from PubChem (CID 105084642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).