2-amino-3-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]propan-1-ol

C14H22N2O — CID 115120672

IUPAC2-amino-3-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]propan-1-ol
SMILESCN(Cc1ccc2c(c1)CCC2)CC(N)CO
InChIInChI=1S/C14H22N2O/c1-16(9-14(15)10-17)8-11-5-6-12-3-2-4-13(12)7-11/h5-7,14,17H,2-4,8-10,15H2,1H3
InChIKeyRKHZWEAJRASLGN-UHFFFAOYSA-N
MW234.34 g/mol
LogP0.93
Rot. Bonds5

About 2-amino-3-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]propan-1-ol

2-amino-3-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]propan-1-ol (PubChem CID 115120672) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-amino-3-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]propan-1-ol
PubChem CID115120672
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-amino-3-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]propan-1-ol
SMILESCN(Cc1ccc2c(c1)CCC2)CC(N)CO
InChIInChI=1S/C14H22N2O/c1-16(9-14(15)10-17)8-11-5-6-12-3-2-4-13(12)7-11/h5-7,14,17H,2-4,8-10,15H2,1H3
InChIKeyRKHZWEAJRASLGN-UHFFFAOYSA-N
XLogP0.93
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]propan-1-ol?
The IUPAC name of 2-amino-3-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]propan-1-ol (CID 115120672) is 2-amino-3-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]propan-1-ol?
The canonical SMILES for 2-amino-3-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]propan-1-ol is CN(Cc1ccc2c(c1)CCC2)CC(N)CO.
What is the InChIKey of 2-amino-3-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]propan-1-ol?
The InChIKey is RKHZWEAJRASLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(9-14(15)10-17)8-11-5-6-12-3-2-4-13(12)7-11/h5-7,14,17H,2-4,8-10,15H2,1H3.
What are the key properties of 2-amino-3-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]propan-1-ol?
2-amino-3-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]propan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 115120672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).