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

C14H21NO — CID 103949520

IUPAC(2R)-1-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
SMILESCc1ccc2c(c1)C(NC[C@@H](C)O)C(C)C2
InChIInChI=1S/C14H21NO/c1-9-4-5-12-7-10(2)14(13(12)6-9)15-8-11(3)16/h4-6,10-11,14-16H,7-8H2,1-3H3/t10?,11-,14?/m1/s1
InChIKeyMOCVQYYJKUCTNT-IQLKVPPVSA-N
MW219.33 g/mol
LogP2.20
Rot. Bonds3

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

(2R)-1-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol (PubChem CID 103949520) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (2R)-1-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
PubChem CID103949520
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(2R)-1-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
SMILESCc1ccc2c(c1)C(NC[C@@H](C)O)C(C)C2
InChIInChI=1S/C14H21NO/c1-9-4-5-12-7-10(2)14(13(12)6-9)15-8-11(3)16/h4-6,10-11,14-16H,7-8H2,1-3H3/t10?,11-,14?/m1/s1
InChIKeyMOCVQYYJKUCTNT-IQLKVPPVSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

1-(cyclopropylmethoxy)-3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 110010370
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea
CID 110024645
(1S,2S)-2,6-dimethyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
CID 101384665
(1R,2S)-N-(1-fluoroethyl)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 173049230
(2R)-1-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-2-ol
CID 103906801
4-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 120552413
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2-pyridin-4-ylethyl)urea
CID 110024699
4-[[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]oxane-4-carboxamide
CID 86784014
(2R)-1-[[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 129412226
3,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 163891740
2,6-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 91647175
(1R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 130738908

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol (CID 103949520) is (2R)-1-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol is Cc1ccc2c(c1)C(NC[C@@H](C)O)C(C)C2.
What is the InChIKey of (2R)-1-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The InChIKey is MOCVQYYJKUCTNT-IQLKVPPVSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-4-5-12-7-10(2)14(13(12)6-9)15-8-11(3)16/h4-6,10-11,14-16H,7-8H2,1-3H3/t10?,11-,14?/m1/s1.
What are the key properties of (2R)-1-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
(2R)-1-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol has a molecular weight of 219.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol is sourced from PubChem (CID 103949520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).