(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol

C13H19NO2 — CID 114986964

IUPAC(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
SMILESCOc1ccc2c(c1)C(N[C@H](C)CO)CC2
InChIInChI=1S/C13H19NO2/c1-9(8-15)14-13-6-4-10-3-5-11(16-2)7-12(10)13/h3,5,7,9,13-15H,4,6,8H2,1-2H3/t9-,13?/m1/s1
InChIKeyUGQFXZQVWQBFPU-CGCSKFHYSA-N
MW221.30 g/mol
LogP1.65
Rot. Bonds4

About (2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol

(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol (PubChem CID 114986964) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
PubChem CID114986964
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
SMILESCOc1ccc2c(c1)C(N[C@H](C)CO)CC2
InChIInChI=1S/C13H19NO2/c1-9(8-15)14-13-6-4-10-3-5-11(16-2)7-12(10)13/h3,5,7,9,13-15H,4,6,8H2,1-2H3/t9-,13?/m1/s1
InChIKeyUGQFXZQVWQBFPU-CGCSKFHYSA-N
XLogP1.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol with MolForge

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Related Compounds

N-(1-ethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366954
6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115890286
N-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366850
6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81398619
N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366506
6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79366051
N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 115727850
N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 113349188
2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol
CID 79238909
6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81363584
(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
CID 114986954
N-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 81374651

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol?
The IUPAC name of (2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol (CID 114986964) is (2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol?
The canonical SMILES for (2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol is COc1ccc2c(c1)C(N[C@H](C)CO)CC2.
What is the InChIKey of (2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol?
The InChIKey is UGQFXZQVWQBFPU-CGCSKFHYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(8-15)14-13-6-4-10-3-5-11(16-2)7-12(10)13/h3,5,7,9,13-15H,4,6,8H2,1-2H3/t9-,13?/m1/s1.
What are the key properties of (2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol?
(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol is sourced from PubChem (CID 114986964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).