1-ethoxy-5-methoxy-1-phenylpentan-2-amine

C14H23NO2 — CID 114857297

IUPAC1-ethoxy-5-methoxy-1-phenylpentan-2-amine
SMILESCCOC(c1ccccc1)C(N)CCCOC
InChIInChI=1S/C14H23NO2/c1-3-17-14(12-8-5-4-6-9-12)13(15)10-7-11-16-2/h4-6,8-9,13-14H,3,7,10-11,15H2,1-2H3
InChIKeyBJBCSWKELUOTND-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.52
Rot. Bonds8

About 1-ethoxy-5-methoxy-1-phenylpentan-2-amine

1-ethoxy-5-methoxy-1-phenylpentan-2-amine (PubChem CID 114857297) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-ethoxy-5-methoxy-1-phenylpentan-2-amine.

Molecular Properties

Compound Name1-ethoxy-5-methoxy-1-phenylpentan-2-amine
PubChem CID114857297
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-ethoxy-5-methoxy-1-phenylpentan-2-amine
SMILESCCOC(c1ccccc1)C(N)CCCOC
InChIInChI=1S/C14H23NO2/c1-3-17-14(12-8-5-4-6-9-12)13(15)10-7-11-16-2/h4-6,8-9,13-14H,3,7,10-11,15H2,1-2H3
InChIKeyBJBCSWKELUOTND-UHFFFAOYSA-N
XLogP2.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-5-(oxolan-2-yl)-1-phenylpentan-2-amine
CID 116773427
[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene
CID 143834566
2-ethoxy-1,2-diphenylethanol
CID 3767197
(2-ethoxy-1,2-diphenylethyl)hydrazine
CID 105279207
5-methoxy-1-phenylpentan-2-amine
CID 62608693
1-methoxy-5-methyl-1-phenylhexan-2-amine
CID 116772767
1-(4-chloro-3-methoxyphenyl)-2-ethoxy-2-phenylethanamine
CID 116773364
1-(2-methoxyethoxy)pentylbenzene
CID 10977044
2-ethoxy-1-(2-fluorophenyl)-2-phenylethanamine
CID 116773494
1-methoxy-2-phenylpentan-3-amine
CID 103466357
1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine
CID 55142037
tert-butyl (2S)-2-amino-3-ethoxy-3-phenylpropanoate
CID 54159083

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-5-methoxy-1-phenylpentan-2-amine?
The IUPAC name of 1-ethoxy-5-methoxy-1-phenylpentan-2-amine (CID 114857297) is 1-ethoxy-5-methoxy-1-phenylpentan-2-amine.
What is the SMILES notation for 1-ethoxy-5-methoxy-1-phenylpentan-2-amine?
The canonical SMILES for 1-ethoxy-5-methoxy-1-phenylpentan-2-amine is CCOC(c1ccccc1)C(N)CCCOC.
What is the InChIKey of 1-ethoxy-5-methoxy-1-phenylpentan-2-amine?
The InChIKey is BJBCSWKELUOTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-17-14(12-8-5-4-6-9-12)13(15)10-7-11-16-2/h4-6,8-9,13-14H,3,7,10-11,15H2,1-2H3.
What are the key properties of 1-ethoxy-5-methoxy-1-phenylpentan-2-amine?
1-ethoxy-5-methoxy-1-phenylpentan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-5-methoxy-1-phenylpentan-2-amine is sourced from PubChem (CID 114857297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).