3-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-methylbutan-2-ol

C15H21FN2O — CID 167932224

IUPAC3-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-methylbutan-2-ol
SMILESCC(NCCc1c[nH]c2cc(F)ccc12)C(C)(C)O
InChIInChI=1S/C15H21FN2O/c1-10(15(2,3)19)17-7-6-11-9-18-14-8-12(16)4-5-13(11)14/h4-5,8-10,17-19H,6-7H2,1-3H3
InChIKeyRWUZNBFPAVCOBO-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.60
Rot. Bonds5

About 3-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-methylbutan-2-ol

3-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-methylbutan-2-ol (PubChem CID 167932224) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 3-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-methylbutan-2-ol
PubChem CID167932224
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name3-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-methylbutan-2-ol
SMILESCC(NCCc1c[nH]c2cc(F)ccc12)C(C)(C)O
InChIInChI=1S/C15H21FN2O/c1-10(15(2,3)19)17-7-6-11-9-18-14-8-12(16)4-5-13(11)14/h4-5,8-10,17-19H,6-7H2,1-3H3
InChIKeyRWUZNBFPAVCOBO-UHFFFAOYSA-N
XLogP2.60
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
(2S)-1-cyclobutyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propan-2-amine
CID 171764220
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide
CID 119706151
N-[2-[[N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111887695
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride
CID 119280013
N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82493176
4-(6-fluoro-1H-indol-3-yl)butan-2-one
CID 28806457
2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
CID 121393685
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
2-(4-chlorophenoxy)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 60607081

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-methylbutan-2-ol?
The IUPAC name of 3-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-methylbutan-2-ol (CID 167932224) is 3-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-methylbutan-2-ol is CC(NCCc1c[nH]c2cc(F)ccc12)C(C)(C)O.
What is the InChIKey of 3-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-methylbutan-2-ol?
The InChIKey is RWUZNBFPAVCOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10(15(2,3)19)17-7-6-11-9-18-14-8-12(16)4-5-13(11)14/h4-5,8-10,17-19H,6-7H2,1-3H3.
What are the key properties of 3-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-methylbutan-2-ol?
3-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-methylbutan-2-ol has a molecular weight of 264.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 167932224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).