(2R)-2-[(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol

C12H15Cl2NO — CID 103778592

IUPAC(2R)-2-[(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
SMILESC[C@H](CO)NC1CCc2c1ccc(Cl)c2Cl
InChIInChI=1S/C12H15Cl2NO/c1-7(6-16)15-11-5-3-9-8(11)2-4-10(13)12(9)14/h2,4,7,11,15-16H,3,5-6H2,1H3/t7-,11?/m1/s1
InChIKeyCRIXKKMCYJGDNG-DKSCNQEISA-N
MW260.16 g/mol
LogP2.95
Rot. Bonds3

About (2R)-2-[(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol

(2R)-2-[(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol (PubChem CID 103778592) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is (2R)-2-[(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
PubChem CID103778592
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name(2R)-2-[(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
SMILESC[C@H](CO)NC1CCc2c1ccc(Cl)c2Cl
InChIInChI=1S/C12H15Cl2NO/c1-7(6-16)15-11-5-3-9-8(11)2-4-10(13)12(9)14/h2,4,7,11,15-16H,3,5-6H2,1H3/t7-,11?/m1/s1
InChIKeyCRIXKKMCYJGDNG-DKSCNQEISA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol with MolForge

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Related Compounds

(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
4,5-dichloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 61382890
1-[(1S)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-3-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]urea
CID 98891746
4,5-dichloro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383390
(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
CID 114986954
(2R)-2-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 103845683
4,5-dichloro-2,3-dihydro-1H-inden-1-ol
CID 22757692
1-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 79254434
1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 43637043
(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114986964
3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 81338301
(2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 103789078

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol?
The IUPAC name of (2R)-2-[(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol (CID 103778592) is (2R)-2-[(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol?
The canonical SMILES for (2R)-2-[(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol is C[C@H](CO)NC1CCc2c1ccc(Cl)c2Cl.
What is the InChIKey of (2R)-2-[(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol?
The InChIKey is CRIXKKMCYJGDNG-DKSCNQEISA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-7(6-16)15-11-5-3-9-8(11)2-4-10(13)12(9)14/h2,4,7,11,15-16H,3,5-6H2,1H3/t7-,11?/m1/s1.
What are the key properties of (2R)-2-[(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol?
(2R)-2-[(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol has a molecular weight of 260.16 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol is sourced from PubChem (CID 103778592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).