3-(5-amino-1-methylindol-7-yl)propan-1-ol

C12H16N2O — CID 141402978

IUPAC3-(5-amino-1-methylindol-7-yl)propan-1-ol
SMILESCn1ccc2cc(N)cc(CCCO)c21
InChIInChI=1S/C12H16N2O/c1-14-5-4-10-8-11(13)7-9(12(10)14)3-2-6-15/h4-5,7-8,15H,2-3,6,13H2,1H3
InChIKeyKYIHEENTLURTJN-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.69
Rot. Bonds3

About 3-(5-amino-1-methylindol-7-yl)propan-1-ol

3-(5-amino-1-methylindol-7-yl)propan-1-ol (PubChem CID 141402978) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(5-amino-1-methylindol-7-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-amino-1-methylindol-7-yl)propan-1-ol
PubChem CID141402978
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(5-amino-1-methylindol-7-yl)propan-1-ol
SMILESCn1ccc2cc(N)cc(CCCO)c21
InChIInChI=1S/C12H16N2O/c1-14-5-4-10-8-11(13)7-9(12(10)14)3-2-6-15/h4-5,7-8,15H,2-3,6,13H2,1H3
InChIKeyKYIHEENTLURTJN-UHFFFAOYSA-N
XLogP1.69
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-methylindole-7-carboxylic acid
CID 83483770
7-cyclopropyl-1-methylindol-5-amine
CID 90152637
5,7-difluoro-1-methylindol-6-amine
CID 117274554
benzene-1,2-diamine;3-(2,5-diaminophenyl)propan-1-ol
CID 174915538
(7-bromo-1-methylindol-5-yl)methanol
CID 139560764
3-(2-amino-5-methylphenyl)propan-1-ol
CID 58554503
4-(5-fluoro-1-methylindol-6-yl)butan-1-amine
CID 115003362
2-methyl-1-(1-methylindol-7-yl)propan-2-ol
CID 115115003
2-(5-aminoindol-1-yl)ethanol
CID 43165354
1,5-dimethylindole-7-carboxylic acid
CID 83946044
3-amino-4-(3-hydroxypropyl)phenol
CID 67360717
3-(3-chloro-1-methylindol-7-yl)propan-1-ol
CID 117321059

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1-methylindol-7-yl)propan-1-ol?
The IUPAC name of 3-(5-amino-1-methylindol-7-yl)propan-1-ol (CID 141402978) is 3-(5-amino-1-methylindol-7-yl)propan-1-ol.
What is the SMILES notation for 3-(5-amino-1-methylindol-7-yl)propan-1-ol?
The canonical SMILES for 3-(5-amino-1-methylindol-7-yl)propan-1-ol is Cn1ccc2cc(N)cc(CCCO)c21.
What is the InChIKey of 3-(5-amino-1-methylindol-7-yl)propan-1-ol?
The InChIKey is KYIHEENTLURTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14-5-4-10-8-11(13)7-9(12(10)14)3-2-6-15/h4-5,7-8,15H,2-3,6,13H2,1H3.
What are the key properties of 3-(5-amino-1-methylindol-7-yl)propan-1-ol?
3-(5-amino-1-methylindol-7-yl)propan-1-ol has a molecular weight of 204.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1-methylindol-7-yl)propan-1-ol is sourced from PubChem (CID 141402978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).