2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol

C16H27NO2 — CID 66003253

IUPAC2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
SMILESCCOc1ccc(C(C)(O)CCNCC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-5-19-15-8-6-14(7-9-15)16(4,18)10-11-17-12-13(2)3/h6-9,13,17-18H,5,10-12H2,1-4H3
InChIKeyPENOEADDQPRQAB-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.93
Rot. Bonds8

About 2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol

2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol (PubChem CID 66003253) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
PubChem CID66003253
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
SMILESCCOc1ccc(C(C)(O)CCNCC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-5-19-15-8-6-14(7-9-15)16(4,18)10-11-17-12-13(2)3/h6-9,13,17-18H,5,10-12H2,1-4H3
InChIKeyPENOEADDQPRQAB-UHFFFAOYSA-N
XLogP2.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.93
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

2-(2-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003668
2-(3-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66002281
1-(tert-butylamino)-2-(4-ethoxyphenyl)propan-2-ol
CID 62773212
2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol
CID 129179765
(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol
CID 66002674
4-(2-methylpropylamino)-2-quinolin-7-ylbutan-2-ol
CID 81221362
4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol
CID 116546296
2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol
CID 62772806
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65308994
N-(4-ethoxyphenyl)-3-(2-methylpropylamino)propanamide
CID 109012855

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol?
The IUPAC name of 2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol (CID 66003253) is 2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol.
What is the SMILES notation for 2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol?
The canonical SMILES for 2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol is CCOc1ccc(C(C)(O)CCNCC(C)C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol?
The InChIKey is PENOEADDQPRQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-19-15-8-6-14(7-9-15)16(4,18)10-11-17-12-13(2)3/h6-9,13,17-18H,5,10-12H2,1-4H3.
What are the key properties of 2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol?
2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol is sourced from PubChem (CID 66003253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).