1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol

C15H22N2O — CID 102914360

IUPAC1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol
SMILESCCCNCc1cccc2ccn(CC(C)O)c12
InChIInChI=1S/C15H22N2O/c1-3-8-16-10-14-6-4-5-13-7-9-17(15(13)14)11-12(2)18/h4-7,9,12,16,18H,3,8,10-11H2,1-2H3
InChIKeyHMJJUGKEZCYENI-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.52
Rot. Bonds6

About 1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol

1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol (PubChem CID 102914360) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol
PubChem CID102914360
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol
SMILESCCCNCc1cccc2ccn(CC(C)O)c12
InChIInChI=1S/C15H22N2O/c1-3-8-16-10-14-6-4-5-13-7-9-17(15(13)14)11-12(2)18/h4-7,9,12,16,18H,3,8,10-11H2,1-2H3
InChIKeyHMJJUGKEZCYENI-UHFFFAOYSA-N
XLogP2.52
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol
CID 102914318
2-[7-(propylaminomethyl)indol-1-yl]acetonitrile
CID 102914342
N-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine
CID 102914380
2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol
CID 102914261
N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide
CID 102914354
N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine
CID 102914312
N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine
CID 102914247
N-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide
CID 102914268
2-methyl-N-[[1-(2-methylidenebutyl)indol-7-yl]methyl]propan-1-amine
CID 66038082
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine
CID 102914308
N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine
CID 102914060
N-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine
CID 106455380

Frequently Asked Questions

What is the IUPAC name of 1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol?
The IUPAC name of 1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol (CID 102914360) is 1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol?
The canonical SMILES for 1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol is CCCNCc1cccc2ccn(CC(C)O)c12.
What is the InChIKey of 1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol?
The InChIKey is HMJJUGKEZCYENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-8-16-10-14-6-4-5-13-7-9-17(15(13)14)11-12(2)18/h4-7,9,12,16,18H,3,8,10-11H2,1-2H3.
What are the key properties of 1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol?
1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol has a molecular weight of 246.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol is sourced from PubChem (CID 102914360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).