2-[5-amino-1-[(2R)-3-butoxy-2-hydroxypropyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol

C19H29FN2O3 — CID 121481367

IUPAC2-[5-amino-1-[(2R)-3-butoxy-2-hydroxypropyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol
SMILESCCCCOC[C@H](O)Cn1c(C(C)(C)CO)cc2cc(N)c(F)cc21
InChIInChI=1S/C19H29FN2O3/c1-4-5-6-25-11-14(24)10-22-17-9-15(20)16(21)7-13(17)8-18(22)19(2,3)12-23/h7-9,14,23-24H,4-6,10-12,21H2,1-3H3/t14-/m1/s1
InChIKeyRCBPKDCAMIBOQU-CQSZACIVSA-N
MW352.45 g/mol
LogP2.81
Rot. Bonds9

About 2-[5-amino-1-[(2R)-3-butoxy-2-hydroxypropyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol

2-[5-amino-1-[(2R)-3-butoxy-2-hydroxypropyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol (PubChem CID 121481367) has the molecular formula C19H29FN2O3 and a molecular weight of 352.45 g/mol. Its IUPAC name is 2-[5-amino-1-[(2R)-3-butoxy-2-hydroxypropyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[5-amino-1-[(2R)-3-butoxy-2-hydroxypropyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol
PubChem CID121481367
Molecular FormulaC19H29FN2O3
Molecular Weight352.45 g/mol
Exact Mass352.22
IUPAC Name2-[5-amino-1-[(2R)-3-butoxy-2-hydroxypropyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol
SMILESCCCCOC[C@H](O)Cn1c(C(C)(C)CO)cc2cc(N)c(F)cc21
InChIInChI=1S/C19H29FN2O3/c1-4-5-6-25-11-14(24)10-22-17-9-15(20)16(21)7-13(17)8-18(22)19(2,3)12-23/h7-9,14,23-24H,4-6,10-12,21H2,1-3H3/t14-/m1/s1
InChIKeyRCBPKDCAMIBOQU-CQSZACIVSA-N
XLogP2.81
TPSA80.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-1-[(2R)-3-butoxy-2-hydroxypropyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[5-amino-1-[(2R)-3-butoxy-2-hydroxypropyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol (CID 121481367) is 2-[5-amino-1-[(2R)-3-butoxy-2-hydroxypropyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[5-amino-1-[(2R)-3-butoxy-2-hydroxypropyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[5-amino-1-[(2R)-3-butoxy-2-hydroxypropyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol is CCCCOC[C@H](O)Cn1c(C(C)(C)CO)cc2cc(N)c(F)cc21.
What is the InChIKey of 2-[5-amino-1-[(2R)-3-butoxy-2-hydroxypropyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol?
The InChIKey is RCBPKDCAMIBOQU-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29FN2O3/c1-4-5-6-25-11-14(24)10-22-17-9-15(20)16(21)7-13(17)8-18(22)19(2,3)12-23/h7-9,14,23-24H,4-6,10-12,21H2,1-3H3/t14-/m1/s1.
What are the key properties of 2-[5-amino-1-[(2R)-3-butoxy-2-hydroxypropyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol?
2-[5-amino-1-[(2R)-3-butoxy-2-hydroxypropyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol has a molecular weight of 352.45 g/mol, XLogP of 2.81, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-1-[(2R)-3-butoxy-2-hydroxypropyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 121481367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).