3-[2-[propan-2-yl(prop-2-enyl)amino]ethyl]-1H-indol-4-ol

C16H22N2O — CID 166468740

IUPAC3-[2-[propan-2-yl(prop-2-enyl)amino]ethyl]-1H-indol-4-ol
SMILESC=CCN(CCc1c[nH]c2cccc(O)c12)C(C)C
InChIInChI=1S/C16H22N2O/c1-4-9-18(12(2)3)10-8-13-11-17-14-6-5-7-15(19)16(13)14/h4-7,11-12,17,19H,1,8-10H2,2-3H3
InChIKeyDBLMZPCKGYMBRR-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.31
Rot. Bonds6

About 3-[2-[propan-2-yl(prop-2-enyl)amino]ethyl]-1H-indol-4-ol

3-[2-[propan-2-yl(prop-2-enyl)amino]ethyl]-1H-indol-4-ol (PubChem CID 166468740) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-[2-[propan-2-yl(prop-2-enyl)amino]ethyl]-1H-indol-4-ol.

Molecular Properties

Compound Name3-[2-[propan-2-yl(prop-2-enyl)amino]ethyl]-1H-indol-4-ol
PubChem CID166468740
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3-[2-[propan-2-yl(prop-2-enyl)amino]ethyl]-1H-indol-4-ol
SMILESC=CCN(CCc1c[nH]c2cccc(O)c12)C(C)C
InChIInChI=1S/C16H22N2O/c1-4-9-18(12(2)3)10-8-13-11-17-14-6-5-7-15(19)16(13)14/h4-7,11-12,17,19H,1,8-10H2,2-3H3
InChIKeyDBLMZPCKGYMBRR-UHFFFAOYSA-N
XLogP3.31
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;hydrochloride
CID 24802096
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane
CID 163393162
3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride
CID 165362448
3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid
CID 175999379
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
3-[(propan-2-ylamino)methyl]-1H-indol-4-ol
CID 117171455
4-[[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl]oxy]-4-oxobutanoic acid
CID 169222294
[3-[2-[fluoromethyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate
CID 167499904
methyl (2S)-2-[bis(prop-2-enyl)amino]-3-(1H-indol-3-yl)propanoate
CID 102183904
N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 132988764
(E)-4-[[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl]oxy]-4-oxobut-2-enoic acid
CID 162510635

Frequently Asked Questions

What is the IUPAC name of 3-[2-[propan-2-yl(prop-2-enyl)amino]ethyl]-1H-indol-4-ol?
The IUPAC name of 3-[2-[propan-2-yl(prop-2-enyl)amino]ethyl]-1H-indol-4-ol (CID 166468740) is 3-[2-[propan-2-yl(prop-2-enyl)amino]ethyl]-1H-indol-4-ol.
What is the SMILES notation for 3-[2-[propan-2-yl(prop-2-enyl)amino]ethyl]-1H-indol-4-ol?
The canonical SMILES for 3-[2-[propan-2-yl(prop-2-enyl)amino]ethyl]-1H-indol-4-ol is C=CCN(CCc1c[nH]c2cccc(O)c12)C(C)C.
What is the InChIKey of 3-[2-[propan-2-yl(prop-2-enyl)amino]ethyl]-1H-indol-4-ol?
The InChIKey is DBLMZPCKGYMBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-9-18(12(2)3)10-8-13-11-17-14-6-5-7-15(19)16(13)14/h4-7,11-12,17,19H,1,8-10H2,2-3H3.
What are the key properties of 3-[2-[propan-2-yl(prop-2-enyl)amino]ethyl]-1H-indol-4-ol?
3-[2-[propan-2-yl(prop-2-enyl)amino]ethyl]-1H-indol-4-ol has a molecular weight of 258.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[propan-2-yl(prop-2-enyl)amino]ethyl]-1H-indol-4-ol is sourced from PubChem (CID 166468740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).