3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane

C18H30N2O — CID 163393162

IUPAC3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane
SMILESCC.CC(C)N(CCc1c[nH]c2cccc(O)c12)C(C)C
InChIInChI=1S/C16H24N2O.C2H6/c1-11(2)18(12(3)4)9-8-13-10-17-14-6-5-7-15(19)16(13)14;1-2/h5-7,10-12,17,19H,8-9H2,1-4H3;1-2H3
InChIKeyHNWYPNGEAOZJQI-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.56
Rot. Bonds5

About 3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane

3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane (PubChem CID 163393162) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane.

Molecular Properties

Compound Name3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane
PubChem CID163393162
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane
SMILESCC.CC(C)N(CCc1c[nH]c2cccc(O)c12)C(C)C
InChIInChI=1S/C16H24N2O.C2H6/c1-11(2)18(12(3)4)9-8-13-10-17-14-6-5-7-15(19)16(13)14;1-2/h5-7,10-12,17,19H,8-9H2,1-4H3;1-2H3
InChIKeyHNWYPNGEAOZJQI-UHFFFAOYSA-N
XLogP4.56
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;hydrochloride
CID 24802096
3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride
CID 165362448
N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 132988764
3-[2-[propan-2-yl(prop-2-enyl)amino]ethyl]-1H-indol-4-ol
CID 166468740
3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid
CID 175999379
[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] tetradecanoate
CID 163393164
3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol
CID 172624995
1-[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl]pent-4-en-2-one;methanol
CID 164541097
N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24801934
(E)-4-[[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl]oxy]-4-oxobut-2-enoic acid
CID 162510635
butanedioic acid;bis(N-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine)
CID 175918021
3-[(propan-2-ylamino)methyl]-1H-indol-4-ol
CID 117171455

Frequently Asked Questions

What is the IUPAC name of 3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane?
The IUPAC name of 3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane (CID 163393162) is 3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane.
What is the SMILES notation for 3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane?
The canonical SMILES for 3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane is CC.CC(C)N(CCc1c[nH]c2cccc(O)c12)C(C)C.
What is the InChIKey of 3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane?
The InChIKey is HNWYPNGEAOZJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.C2H6/c1-11(2)18(12(3)4)9-8-13-10-17-14-6-5-7-15(19)16(13)14;1-2/h5-7,10-12,17,19H,8-9H2,1-4H3;1-2H3.
What are the key properties of 3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane?
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane has a molecular weight of 290.45 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane is sourced from PubChem (CID 163393162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).