3-methoxy-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol

C14H22N2O2 — CID 114078771

IUPAC3-methoxy-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
SMILESCOCC(CO)NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C14H22N2O2/c1-16-6-5-12-7-11(3-4-14(12)16)8-15-13(9-17)10-18-2/h3-4,7,13,15,17H,5-6,8-10H2,1-2H3
InChIKeyPNKAMLCYNOKSJW-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.78
Rot. Bonds6

About 3-methoxy-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol

3-methoxy-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol (PubChem CID 114078771) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-methoxy-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
PubChem CID114078771
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-methoxy-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
SMILESCOCC(CO)NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C14H22N2O2/c1-16-6-5-12-7-11(3-4-14(12)16)8-15-13(9-17)10-18-2/h3-4,7,13,15,17H,5-6,8-10H2,1-2H3
InChIKeyPNKAMLCYNOKSJW-UHFFFAOYSA-N
XLogP0.78
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 65047506
4-methoxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol
CID 106156668
(2R)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol
CID 113498869
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 62096350
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 62070504
N-methoxy-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 82706033
2-methyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 65031805
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol
CID 109380215
4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine
CID 62096505
5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine
CID 62096489
(1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine
CID 81350665
4-methoxy-2,2-dimethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 104625143

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol?
The IUPAC name of 3-methoxy-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol (CID 114078771) is 3-methoxy-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol.
What is the SMILES notation for 3-methoxy-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol?
The canonical SMILES for 3-methoxy-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol is COCC(CO)NCc1ccc2c(c1)CCN2C.
What is the InChIKey of 3-methoxy-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol?
The InChIKey is PNKAMLCYNOKSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16-6-5-12-7-11(3-4-14(12)16)8-15-13(9-17)10-18-2/h3-4,7,13,15,17H,5-6,8-10H2,1-2H3.
What are the key properties of 3-methoxy-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol?
3-methoxy-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol is sourced from PubChem (CID 114078771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).