[1-[(2-phenylethylamino)methyl]indol-4-yl]methanol

C18H20N2O — CID 70491880

IUPAC[1-[(2-phenylethylamino)methyl]indol-4-yl]methanol
SMILESOCc1cccc2c1ccn2CNCCc1ccccc1
InChIInChI=1S/C18H20N2O/c21-13-16-7-4-8-18-17(16)10-12-20(18)14-19-11-9-15-5-2-1-3-6-15/h1-8,10,12,19,21H,9,11,13-14H2
InChIKeyUULMPKSGHISIAL-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.92
Rot. Bonds6

About [1-[(2-phenylethylamino)methyl]indol-4-yl]methanol

[1-[(2-phenylethylamino)methyl]indol-4-yl]methanol (PubChem CID 70491880) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is [1-[(2-phenylethylamino)methyl]indol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-phenylethylamino)methyl]indol-4-yl]methanol
PubChem CID70491880
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name[1-[(2-phenylethylamino)methyl]indol-4-yl]methanol
SMILESOCc1cccc2c1ccn2CNCCc1ccccc1
InChIInChI=1S/C18H20N2O/c21-13-16-7-4-8-18-17(16)10-12-20(18)14-19-11-9-15-5-2-1-3-6-15/h1-8,10,12,19,21H,9,11,13-14H2
InChIKeyUULMPKSGHISIAL-UHFFFAOYSA-N
XLogP2.92
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-[(2-phenylethylamino)methyl]indol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(hydroxymethyl)indol-4-yl]methanol
CID 129249901
2-[4-(hydroxymethyl)indol-1-yl]acetamide
CID 28947081
4-ethyl-1-(2-phenylethyl)indole
CID 143158245
3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
CID 119027419
N-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide
CID 176845587
[1-(3,3,3-trifluoropropyl)indol-4-yl]methanol
CID 64566330
N-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide
CID 176845405
2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol
CID 124786070
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660
2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol
CID 176845640
[1-(4,4,4-trifluorobutyl)indol-4-yl]methanol
CID 113326659
2-[(2-phenylethylamino)methyl]benzoic acid
CID 17157313

Frequently Asked Questions

What is the IUPAC name of [1-[(2-phenylethylamino)methyl]indol-4-yl]methanol?
The IUPAC name of [1-[(2-phenylethylamino)methyl]indol-4-yl]methanol (CID 70491880) is [1-[(2-phenylethylamino)methyl]indol-4-yl]methanol.
What is the SMILES notation for [1-[(2-phenylethylamino)methyl]indol-4-yl]methanol?
The canonical SMILES for [1-[(2-phenylethylamino)methyl]indol-4-yl]methanol is OCc1cccc2c1ccn2CNCCc1ccccc1.
What is the InChIKey of [1-[(2-phenylethylamino)methyl]indol-4-yl]methanol?
The InChIKey is UULMPKSGHISIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-13-16-7-4-8-18-17(16)10-12-20(18)14-19-11-9-15-5-2-1-3-6-15/h1-8,10,12,19,21H,9,11,13-14H2.
What are the key properties of [1-[(2-phenylethylamino)methyl]indol-4-yl]methanol?
[1-[(2-phenylethylamino)methyl]indol-4-yl]methanol has a molecular weight of 280.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-phenylethylamino)methyl]indol-4-yl]methanol is sourced from PubChem (CID 70491880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).