1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol

C15H22N2O — CID 117179101

IUPAC1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol
SMILESCC(C)NCc1cn(C(C)C)c2cc(O)ccc12
InChIInChI=1S/C15H22N2O/c1-10(2)16-8-12-9-17(11(3)4)15-7-13(18)5-6-14(12)15/h5-7,9-11,16,18H,8H2,1-4H3
InChIKeyGRHMAVNWJULZPY-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.43
Rot. Bonds4

About 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol

1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol (PubChem CID 117179101) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol.

Molecular Properties

Compound Name1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol
PubChem CID117179101
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol
SMILESCC(C)NCc1cn(C(C)C)c2cc(O)ccc12
InChIInChI=1S/C15H22N2O/c1-10(2)16-8-12-9-17(11(3)4)15-7-13(18)5-6-14(12)15/h5-7,9-11,16,18H,8H2,1-4H3
InChIKeyGRHMAVNWJULZPY-UHFFFAOYSA-N
XLogP3.43
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indol-6-ol
CID 117179103
N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine
CID 117175412
4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117179041
[3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine
CID 117178738
1-methyl-3-[2-(methylamino)propyl]indol-6-ol
CID 83917388
1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine
CID 117182558
N-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide
CID 71825768
3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117179000
1-ethyl-3-[(propan-2-ylamino)methyl]indole-6-carboxylic acid
CID 117179185
N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine
CID 117178730
2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117178967
O-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine
CID 117196322

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol?
The IUPAC name of 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol (CID 117179101) is 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol.
What is the SMILES notation for 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol?
The canonical SMILES for 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol is CC(C)NCc1cn(C(C)C)c2cc(O)ccc12.
What is the InChIKey of 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol?
The InChIKey is GRHMAVNWJULZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)16-8-12-9-17(11(3)4)15-7-13(18)5-6-14(12)15/h5-7,9-11,16,18H,8H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol?
1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol has a molecular weight of 246.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol is sourced from PubChem (CID 117179101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).