4-[7-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol

C17H26N2O — CID 102915190

IUPAC4-[7-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol
SMILESCC(O)CCn1ccc2cccc(CNC(C)(C)C)c21
InChIInChI=1S/C17H26N2O/c1-13(20)8-10-19-11-9-14-6-5-7-15(16(14)19)12-18-17(2,3)4/h5-7,9,11,13,18,20H,8,10,12H2,1-4H3
InChIKeyRVKYWOSYZQBUOU-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.30
Rot. Bonds5

About 4-[7-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol

4-[7-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol (PubChem CID 102915190) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[7-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol.

Molecular Properties

Compound Name4-[7-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol
PubChem CID102915190
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[7-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol
SMILESCC(O)CCn1ccc2cccc(CNC(C)(C)C)c21
InChIInChI=1S/C17H26N2O/c1-13(20)8-10-19-11-9-14-6-5-7-15(16(14)19)12-18-17(2,3)4/h5-7,9,11,13,18,20H,8,10,12H2,1-4H3
InChIKeyRVKYWOSYZQBUOU-UHFFFAOYSA-N
XLogP3.30
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[7-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol
CID 102915153
2-[7-[(tert-butylamino)methyl]indol-1-yl]acetamide
CID 102915184
2-methyl-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]propan-2-amine
CID 79185979
2-methyl-N-[[1-(2,2,2-trifluoroethyl)indol-7-yl]methyl]propan-2-amine
CID 102915151
ethyl 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetate
CID 102915277
4-[6-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol
CID 102916969
1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol
CID 102914360
2,2-dimethyl-4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanenitrile
CID 102914573
N-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine
CID 106455380
N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-2-amine
CID 102914619
N-[2-(7-chloroindol-1-yl)ethyl]-2-methylpropan-2-amine
CID 103474608
N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine
CID 102914430

Frequently Asked Questions

What is the IUPAC name of 4-[7-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol?
The IUPAC name of 4-[7-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol (CID 102915190) is 4-[7-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol.
What is the SMILES notation for 4-[7-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol?
The canonical SMILES for 4-[7-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol is CC(O)CCn1ccc2cccc(CNC(C)(C)C)c21.
What is the InChIKey of 4-[7-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol?
The InChIKey is RVKYWOSYZQBUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(20)8-10-19-11-9-14-6-5-7-15(16(14)19)12-18-17(2,3)4/h5-7,9,11,13,18,20H,8,10,12H2,1-4H3.
What are the key properties of 4-[7-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol?
4-[7-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol has a molecular weight of 274.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol is sourced from PubChem (CID 102915190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).