1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol

C16H27FN2O2 — CID 62642322

IUPAC1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
SMILESCC(C)N(C)CCNCC(O)COCc1ccccc1F
InChIInChI=1S/C16H27FN2O2/c1-13(2)19(3)9-8-18-10-15(20)12-21-11-14-6-4-5-7-16(14)17/h4-7,13,15,18,20H,8-12H2,1-3H3
InChIKeyQYQNGYCDPBRCQT-UHFFFAOYSA-N
MW298.40 g/mol
LogP1.63
Rot. Bonds10

About 1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol

1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol (PubChem CID 62642322) has the molecular formula C16H27FN2O2 and a molecular weight of 298.40 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
PubChem CID62642322
Molecular FormulaC16H27FN2O2
Molecular Weight298.40 g/mol
Exact Mass298.21
IUPAC Name1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
SMILESCC(C)N(C)CCNCC(O)COCc1ccccc1F
InChIInChI=1S/C16H27FN2O2/c1-13(2)19(3)9-8-18-10-15(20)12-21-11-14-6-4-5-7-16(14)17/h4-7,13,15,18,20H,8-12H2,1-3H3
InChIKeyQYQNGYCDPBRCQT-UHFFFAOYSA-N
XLogP1.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 51.63
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

1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 60634200
1-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 65107673
1-[(2-fluorophenyl)methoxy]-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632244
methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate
CID 60649043
1-[(2-fluorophenyl)methoxy]-3-(2-thiophen-2-ylethylamino)propan-2-ol
CID 60897038
1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469296
1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 3604770
1-ethoxy-3-[2-(2-fluorophenyl)ethylamino]propan-2-ol
CID 63932742
1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103829136
(2R)-1-(dibutylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 2314442
2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol
CID 4834530
1-[1-(2,4-difluorophenyl)ethylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 110877386

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol (CID 62642322) is 1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol is CC(C)N(C)CCNCC(O)COCc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol?
The InChIKey is QYQNGYCDPBRCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O2/c1-13(2)19(3)9-8-18-10-15(20)12-21-11-14-6-4-5-7-16(14)17/h4-7,13,15,18,20H,8-12H2,1-3H3.
What are the key properties of 1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol?
1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol has a molecular weight of 298.40 g/mol, XLogP of 1.63, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol is sourced from PubChem (CID 62642322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).