1-[4-[(propan-2-ylamino)methyl]indol-1-yl]propan-2-ol

C15H22N2O — CID 65279152

IUPAC1-[4-[(propan-2-ylamino)methyl]indol-1-yl]propan-2-ol
SMILESCC(O)Cn1ccc2c(CNC(C)C)cccc21
InChIInChI=1S/C15H22N2O/c1-11(2)16-9-13-5-4-6-15-14(13)7-8-17(15)10-12(3)18/h4-8,11-12,16,18H,9-10H2,1-3H3
InChIKeyGNACEHGBMSMIJG-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.52
Rot. Bonds5

About 1-[4-[(propan-2-ylamino)methyl]indol-1-yl]propan-2-ol

1-[4-[(propan-2-ylamino)methyl]indol-1-yl]propan-2-ol (PubChem CID 65279152) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[4-[(propan-2-ylamino)methyl]indol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[(propan-2-ylamino)methyl]indol-1-yl]propan-2-ol
PubChem CID65279152
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[4-[(propan-2-ylamino)methyl]indol-1-yl]propan-2-ol
SMILESCC(O)Cn1ccc2c(CNC(C)C)cccc21
InChIInChI=1S/C15H22N2O/c1-11(2)16-9-13-5-4-6-15-14(13)7-8-17(15)10-12(3)18/h4-8,11-12,16,18H,9-10H2,1-3H3
InChIKeyGNACEHGBMSMIJG-UHFFFAOYSA-N
XLogP2.52
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylindol-1-yl)propan-2-ol
CID 10631504
(2S)-1-(4-methylindol-1-yl)propan-2-ol
CID 67737659
N-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine
CID 106455248
1-[4-(aminomethyl)indol-1-yl]-3-methylbutan-2-ol
CID 114249890
1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol
CID 115106892
N-methyl-3-[1-(2-methylpropyl)indol-4-yl]propan-1-amine
CID 115106965
2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetic acid
CID 83776315
N-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine
CID 114477034
2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol
CID 66402697
N-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide
CID 66401524
N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine
CID 66401921
N-[2-(4-fluoroindol-1-yl)ethyl]propan-2-amine
CID 82793147

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(propan-2-ylamino)methyl]indol-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[(propan-2-ylamino)methyl]indol-1-yl]propan-2-ol (CID 65279152) is 1-[4-[(propan-2-ylamino)methyl]indol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[(propan-2-ylamino)methyl]indol-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[(propan-2-ylamino)methyl]indol-1-yl]propan-2-ol is CC(O)Cn1ccc2c(CNC(C)C)cccc21.
What is the InChIKey of 1-[4-[(propan-2-ylamino)methyl]indol-1-yl]propan-2-ol?
The InChIKey is GNACEHGBMSMIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)16-9-13-5-4-6-15-14(13)7-8-17(15)10-12(3)18/h4-8,11-12,16,18H,9-10H2,1-3H3.
What are the key properties of 1-[4-[(propan-2-ylamino)methyl]indol-1-yl]propan-2-ol?
1-[4-[(propan-2-ylamino)methyl]indol-1-yl]propan-2-ol has a molecular weight of 246.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(propan-2-ylamino)methyl]indol-1-yl]propan-2-ol is sourced from PubChem (CID 65279152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).