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

C12H16ClNO — CID 103906751

IUPAC(2R)-1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNC1CCc2ccc(Cl)cc21
InChIInChI=1S/C12H16ClNO/c1-8(15)7-14-12-5-3-9-2-4-10(13)6-11(9)12/h2,4,6,8,12,14-15H,3,5,7H2,1H3/t8-,12?/m1/s1
InChIKeyBQRKLLPUIQOFCH-SZSXPDSJSA-N
MW225.72 g/mol
LogP2.30
Rot. Bonds3

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

(2R)-1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol (PubChem CID 103906751) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (2R)-1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
PubChem CID103906751
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(2R)-1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNC1CCc2ccc(Cl)cc21
InChIInChI=1S/C12H16ClNO/c1-8(15)7-14-12-5-3-9-2-4-10(13)6-11(9)12/h2,4,6,8,12,14-15H,3,5,7H2,1H3/t8-,12?/m1/s1
InChIKeyBQRKLLPUIQOFCH-SZSXPDSJSA-N
XLogP2.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
CID 97357898
3-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol
CID 115867699
(2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906577
6-chloro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383375
(2R)-1-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-2-ol
CID 103906801
6-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 115867658
2-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide
CID 115867597
6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 54776023
[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]hydrazine
CID 124537604
3-chloro-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62735993
2-(6-chloro-2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 105464630
(2R)-1-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906691

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol (CID 103906751) is (2R)-1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol is C[C@@H](O)CNC1CCc2ccc(Cl)cc21.
What is the InChIKey of (2R)-1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The InChIKey is BQRKLLPUIQOFCH-SZSXPDSJSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8(15)7-14-12-5-3-9-2-4-10(13)6-11(9)12/h2,4,6,8,12,14-15H,3,5,7H2,1H3/t8-,12?/m1/s1.
What are the key properties of (2R)-1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
(2R)-1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol has a molecular weight of 225.72 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol is sourced from PubChem (CID 103906751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).