1-(2,3-difluorophenyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol

C14H21F2NO2 — CID 66003267

IUPAC1-(2,3-difluorophenyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol
SMILESCOCCNCCC(C)(O)Cc1cccc(F)c1F
InChIInChI=1S/C14H21F2NO2/c1-14(18,6-7-17-8-9-19-2)10-11-4-3-5-12(15)13(11)16/h3-5,17-18H,6-10H2,1-2H3
InChIKeyKHRSDQZUHCGUAQ-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.88
Rot. Bonds8

About 1-(2,3-difluorophenyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol

1-(2,3-difluorophenyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol (PubChem CID 66003267) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol
PubChem CID66003267
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name1-(2,3-difluorophenyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol
SMILESCOCCNCCC(C)(O)Cc1cccc(F)c1F
InChIInChI=1S/C14H21F2NO2/c1-14(18,6-7-17-8-9-19-2)10-11-4-3-5-12(15)13(11)16/h3-5,17-18H,6-10H2,1-2H3
InChIKeyKHRSDQZUHCGUAQ-UHFFFAOYSA-N
XLogP1.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.88
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-(2-amino-3-pyridinyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol
CID 66001095
2-(2,3-difluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]acetamide
CID 82994529
1-(2,3-difluorophenyl)-2-methylheptan-2-ol
CID 80557812
N-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 113434288
1-(2-fluorophenyl)-3-(2-methoxyethylamino)-1-phenylpropan-1-ol
CID 70336048
1-(2-methoxyethylamino)-3-methyl-6-phenylhexan-3-ol
CID 66002686
N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 63037352
N-[(2,3-difluorophenyl)methyl]-3-methoxypropan-1-amine
CID 43234451
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 114861733
N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 81269641
N'-[(2-bromo-3-fluorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405507
1-[(2-bromo-3-fluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 106255103

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol?
The IUPAC name of 1-(2,3-difluorophenyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol (CID 66003267) is 1-(2,3-difluorophenyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2,3-difluorophenyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(2,3-difluorophenyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol is COCCNCCC(C)(O)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol?
The InChIKey is KHRSDQZUHCGUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-14(18,6-7-17-8-9-19-2)10-11-4-3-5-12(15)13(11)16/h3-5,17-18H,6-10H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol?
1-(2,3-difluorophenyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol has a molecular weight of 273.32 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 66003267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).