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

C15H25NO — CID 65430782

IUPAC5-ethoxy-N-ethyl-2-phenylpentan-1-amine
SMILESCCNCC(CCCOCC)c1ccccc1
InChIInChI=1S/C15H25NO/c1-3-16-13-15(11-8-12-17-4-2)14-9-6-5-7-10-14/h5-7,9-10,15-16H,3-4,8,11-13H2,1-2H3
InChIKeyVXDCMCIFUGAAJY-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.20
Rot. Bonds9

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

5-ethoxy-N-ethyl-2-phenylpentan-1-amine (PubChem CID 65430782) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-ethoxy-N-ethyl-2-phenylpentan-1-amine.

Molecular Properties

Compound Name5-ethoxy-N-ethyl-2-phenylpentan-1-amine
PubChem CID65430782
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name5-ethoxy-N-ethyl-2-phenylpentan-1-amine
SMILESCCNCC(CCCOCC)c1ccccc1
InChIInChI=1S/C15H25NO/c1-3-16-13-15(11-8-12-17-4-2)14-9-6-5-7-10-14/h5-7,9-10,15-16H,3-4,8,11-13H2,1-2H3
InChIKeyVXDCMCIFUGAAJY-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.20
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

N-ethyl-6-methoxy-2-phenylhexan-1-amine
CID 81024742
N-ethyl-4-(2-methoxyethoxy)-2-phenylbutan-1-amine
CID 65430591
5-(2-methoxyethoxy)-N-methyl-2-phenylpentan-1-amine
CID 103412550
2-phenyl-N-(2-undecoxyethyl)hexan-1-amine
CID 22091448
2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
CID 79437803
N-ethyl-2,4-diphenylbutan-1-amine
CID 81024071
N-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412592
2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
CID 79443619
N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine
CID 103412573
5-methoxy-N-methyl-2-phenylpentan-1-amine
CID 65430583
4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine
CID 81024739
N-ethyl-2-phenyl-3-phenylmethoxypropan-1-amine
CID 102940555

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-ethyl-2-phenylpentan-1-amine?
The IUPAC name of 5-ethoxy-N-ethyl-2-phenylpentan-1-amine (CID 65430782) is 5-ethoxy-N-ethyl-2-phenylpentan-1-amine.
What is the SMILES notation for 5-ethoxy-N-ethyl-2-phenylpentan-1-amine?
The canonical SMILES for 5-ethoxy-N-ethyl-2-phenylpentan-1-amine is CCNCC(CCCOCC)c1ccccc1.
What is the InChIKey of 5-ethoxy-N-ethyl-2-phenylpentan-1-amine?
The InChIKey is VXDCMCIFUGAAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-16-13-15(11-8-12-17-4-2)14-9-6-5-7-10-14/h5-7,9-10,15-16H,3-4,8,11-13H2,1-2H3.
What are the key properties of 5-ethoxy-N-ethyl-2-phenylpentan-1-amine?
5-ethoxy-N-ethyl-2-phenylpentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-ethyl-2-phenylpentan-1-amine is sourced from PubChem (CID 65430782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).