1-cyclopropyl-2-[(1-methyl-2,3-dihydroindol-5-yl)amino]ethanol

C14H20N2O — CID 165483721

IUPAC1-cyclopropyl-2-[(1-methyl-2,3-dihydroindol-5-yl)amino]ethanol
SMILESCN1CCc2cc(NCC(O)C3CC3)ccc21
InChIInChI=1S/C14H20N2O/c1-16-7-6-11-8-12(4-5-13(11)16)15-9-14(17)10-2-3-10/h4-5,8,10,14-15,17H,2-3,6-7,9H2,1H3
InChIKeyMMWIDVCGFFACHB-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.86
Rot. Bonds4

About 1-cyclopropyl-2-[(1-methyl-2,3-dihydroindol-5-yl)amino]ethanol

1-cyclopropyl-2-[(1-methyl-2,3-dihydroindol-5-yl)amino]ethanol (PubChem CID 165483721) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(1-methyl-2,3-dihydroindol-5-yl)amino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[(1-methyl-2,3-dihydroindol-5-yl)amino]ethanol
PubChem CID165483721
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-cyclopropyl-2-[(1-methyl-2,3-dihydroindol-5-yl)amino]ethanol
SMILESCN1CCc2cc(NCC(O)C3CC3)ccc21
InChIInChI=1S/C14H20N2O/c1-16-7-6-11-8-12(4-5-13(11)16)15-9-14(17)10-2-3-10/h4-5,8,10,14-15,17H,2-3,6-7,9H2,1H3
InChIKeyMMWIDVCGFFACHB-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-methyl-2,3-dihydroindol-5-amine
CID 82539913
3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol
CID 82539750
(1-methyl-2,3-dihydroindol-5-yl)hydrazine
CID 116997170
2-(3-amino-4-methylanilino)-1-cyclopropylethanol
CID 63295237
cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900130
1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone
CID 168593573
6-[(1-methyl-2,3-dihydroindol-5-yl)amino]hexanoic acid
CID 82539115
2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide
CID 110729318
3-[(2-cyclopropyl-2-hydroxyethyl)amino]benzonitrile
CID 102822318
1-chloro-3-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)amino]propan-2-ol
CID 168637409
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 79098279
3-hydroxy-2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 79132572

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(1-methyl-2,3-dihydroindol-5-yl)amino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[(1-methyl-2,3-dihydroindol-5-yl)amino]ethanol (CID 165483721) is 1-cyclopropyl-2-[(1-methyl-2,3-dihydroindol-5-yl)amino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[(1-methyl-2,3-dihydroindol-5-yl)amino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[(1-methyl-2,3-dihydroindol-5-yl)amino]ethanol is CN1CCc2cc(NCC(O)C3CC3)ccc21.
What is the InChIKey of 1-cyclopropyl-2-[(1-methyl-2,3-dihydroindol-5-yl)amino]ethanol?
The InChIKey is MMWIDVCGFFACHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16-7-6-11-8-12(4-5-13(11)16)15-9-14(17)10-2-3-10/h4-5,8,10,14-15,17H,2-3,6-7,9H2,1H3.
What are the key properties of 1-cyclopropyl-2-[(1-methyl-2,3-dihydroindol-5-yl)amino]ethanol?
1-cyclopropyl-2-[(1-methyl-2,3-dihydroindol-5-yl)amino]ethanol has a molecular weight of 232.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(1-methyl-2,3-dihydroindol-5-yl)amino]ethanol is sourced from PubChem (CID 165483721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).