(1H-indol-3-ylmethylamino)methanol

C10H12N2O — CID 115228988

IUPAC(1H-indol-3-ylmethylamino)methanol
SMILESOCNCc1c[nH]c2ccccc12
InChIInChI=1S/C10H12N2O/c13-7-11-5-8-6-12-10-4-2-1-3-9(8)10/h1-4,6,11-13H,5,7H2
InChIKeyFRPYIALNPAVGEI-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.21
Rot. Bonds3

About (1H-indol-3-ylmethylamino)methanol

(1H-indol-3-ylmethylamino)methanol (PubChem CID 115228988) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (1H-indol-3-ylmethylamino)methanol.

Molecular Properties

Compound Name(1H-indol-3-ylmethylamino)methanol
PubChem CID115228988
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(1H-indol-3-ylmethylamino)methanol
SMILESOCNCc1c[nH]c2ccccc12
InChIInChI=1S/C10H12N2O/c13-7-11-5-8-6-12-10-4-2-1-3-9(8)10/h1-4,6,11-13H,5,7H2
InChIKeyFRPYIALNPAVGEI-UHFFFAOYSA-N
XLogP1.21
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol
CID 115120563
2-(1H-indol-3-ylmethylamino)-N-methylacetamide
CID 60664269
1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
CID 62332415
4-(1H-indol-3-ylmethylamino)-3,3-dimethylbutan-1-ol
CID 106143200
3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine
CID 115215625
1-amino-3-(1H-indol-3-ylmethylamino)propan-2-ol
CID 115121376
(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol
CID 114985544
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
1-cyclopropyl-2-(1H-indol-3-ylmethylamino)ethanol
CID 63295277
3-(1H-indol-3-ylmethylamino)-N-methylpropanamide
CID 55061964
3-ethyl-1-(1H-indol-3-ylmethylamino)pentan-2-ol
CID 106284510
1H-indol-3-ylmethylcyanamide
CID 145401688

Frequently Asked Questions

What is the IUPAC name of (1H-indol-3-ylmethylamino)methanol?
The IUPAC name of (1H-indol-3-ylmethylamino)methanol (CID 115228988) is (1H-indol-3-ylmethylamino)methanol.
What is the SMILES notation for (1H-indol-3-ylmethylamino)methanol?
The canonical SMILES for (1H-indol-3-ylmethylamino)methanol is OCNCc1c[nH]c2ccccc12.
What is the InChIKey of (1H-indol-3-ylmethylamino)methanol?
The InChIKey is FRPYIALNPAVGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c13-7-11-5-8-6-12-10-4-2-1-3-9(8)10/h1-4,6,11-13H,5,7H2.
What are the key properties of (1H-indol-3-ylmethylamino)methanol?
(1H-indol-3-ylmethylamino)methanol has a molecular weight of 176.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1H-indol-3-ylmethylamino)methanol is sourced from PubChem (CID 115228988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).