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

C12H16ClNO — CID 97357898

IUPAC(2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
SMILESC[C@@H](O)CN[C@H]1CCc2cc(Cl)ccc21
InChIInChI=1S/C12H16ClNO/c1-8(15)7-14-12-5-2-9-6-10(13)3-4-11(9)12/h3-4,6,8,12,14-15H,2,5,7H2,1H3/t8-,12+/m1/s1
InChIKeyWSVHKMPOXSCHTF-PELKAZGASA-N
MW225.72 g/mol
LogP2.30
Rot. Bonds3

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

(2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol (PubChem CID 97357898) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
PubChem CID97357898
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
SMILESC[C@@H](O)CN[C@H]1CCc2cc(Cl)ccc21
InChIInChI=1S/C12H16ClNO/c1-8(15)7-14-12-5-2-9-6-10(13)3-4-11(9)12/h3-4,6,8,12,14-15H,2,5,7H2,1H3/t8-,12+/m1/s1
InChIKeyWSVHKMPOXSCHTF-PELKAZGASA-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-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906751
3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 81338301
3-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol
CID 115867699
N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride
CID 139930761
(2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906577
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 81300774
1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol
CID 113492094
5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 104827853
5-chloro-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81339239
5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115720823
2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 81302223
(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride
CID 119300803

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol (CID 97357898) is (2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol is C[C@@H](O)CN[C@H]1CCc2cc(Cl)ccc21.
What is the InChIKey of (2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol?
The InChIKey is WSVHKMPOXSCHTF-PELKAZGASA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8(15)7-14-12-5-2-9-6-10(13)3-4-11(9)12/h3-4,6,8,12,14-15H,2,5,7H2,1H3/t8-,12+/m1/s1.
What are the key properties of (2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol?
(2R)-1-[[(1S)-5-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-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol is sourced from PubChem (CID 97357898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).