1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-ol

C14H23NO2 — CID 82312671

IUPAC1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-ol
SMILESCCc1ccc(C(O)C(C)NCCOC)cc1
InChIInChI=1S/C14H23NO2/c1-4-12-5-7-13(8-6-12)14(16)11(2)15-9-10-17-3/h5-8,11,14-16H,4,9-10H2,1-3H3
InChIKeyHFMCOXXCLWBPBA-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.91
Rot. Bonds7

About 1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-ol

1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-ol (PubChem CID 82312671) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-ol
PubChem CID82312671
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-ol
SMILESCCc1ccc(C(O)C(C)NCCOC)cc1
InChIInChI=1S/C14H23NO2/c1-4-12-5-7-13(8-6-12)14(16)11(2)15-9-10-17-3/h5-8,11,14-16H,4,9-10H2,1-3H3
InChIKeyHFMCOXXCLWBPBA-UHFFFAOYSA-N
XLogP1.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-2-(2-hydroxyethylamino)propan-1-ol
CID 82312644
N-[4-[1-hydroxy-2-(2-methoxyethylamino)propyl]phenyl]propanamide
CID 82315404
1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-ol
CID 82315777
1-(4-tert-butylphenyl)-2-(3-methoxypropylamino)propan-1-ol
CID 82313612
2-(propylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316044
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one
CID 82100246
methyl 2-[(4-ethylphenyl)-hydroxymethyl]-3-methylbutanoate
CID 62395969
2-(3-ethoxypropylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316067
2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol
CID 82313866
1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol
CID 82316157
1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-ol?
The IUPAC name of 1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-ol (CID 82312671) is 1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-ol?
The canonical SMILES for 1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-ol is CCc1ccc(C(O)C(C)NCCOC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-ol?
The InChIKey is HFMCOXXCLWBPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-12-5-7-13(8-6-12)14(16)11(2)15-9-10-17-3/h5-8,11,14-16H,4,9-10H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-ol?
1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-ol is sourced from PubChem (CID 82312671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).