1-[(2,5-difluorophenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol

C15H23F2NO3 — CID 63794811

IUPAC1-[(2,5-difluorophenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCC(C)OCCOCC(O)CNCc1cc(F)ccc1F
InChIInChI=1S/C15H23F2NO3/c1-11(2)21-6-5-20-10-14(19)9-18-8-12-7-13(16)3-4-15(12)17/h3-4,7,11,14,18-19H,5-6,8-10H2,1-2H3
InChIKeyUQELFQCKPXDULB-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.86
Rot. Bonds10

About 1-[(2,5-difluorophenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol

1-[(2,5-difluorophenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol (PubChem CID 63794811) has the molecular formula C15H23F2NO3 and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
PubChem CID63794811
Molecular FormulaC15H23F2NO3
Molecular Weight303.35 g/mol
Exact Mass303.16
IUPAC Name1-[(2,5-difluorophenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCC(C)OCCOCC(O)CNCc1cc(F)ccc1F
InChIInChI=1S/C15H23F2NO3/c1-11(2)21-6-5-20-10-14(19)9-18-8-12-7-13(16)3-4-15(12)17/h3-4,7,11,14,18-19H,5-6,8-10H2,1-2H3
InChIKeyUQELFQCKPXDULB-UHFFFAOYSA-N
XLogP1.86
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol
CID 114331941
1-[(5-bromo-2-fluorophenyl)methylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989579
1-(4-fluoro-2-iodoanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 79769591
1-[(2,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421909
1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 103675866
1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110906225
2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]propan-1-amine
CID 115592592
1-(2-propan-2-yloxyethoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633221
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 106044600
1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60632107
1-[(4-bromothiophen-2-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60970520
1-[(5-bromothiophen-2-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60743812

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The IUPAC name of 1-[(2,5-difluorophenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol (CID 63794811) is 1-[(2,5-difluorophenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The canonical SMILES for 1-[(2,5-difluorophenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol is CC(C)OCCOCC(O)CNCc1cc(F)ccc1F.
What is the InChIKey of 1-[(2,5-difluorophenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The InChIKey is UQELFQCKPXDULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO3/c1-11(2)21-6-5-20-10-14(19)9-18-8-12-7-13(16)3-4-15(12)17/h3-4,7,11,14,18-19H,5-6,8-10H2,1-2H3.
What are the key properties of 1-[(2,5-difluorophenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
1-[(2,5-difluorophenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol has a molecular weight of 303.35 g/mol, XLogP of 1.86, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol is sourced from PubChem (CID 63794811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).