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

C13H18ClNO — CID 115867699

IUPAC3-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol
SMILESCC(CO)CNC1CCc2ccc(Cl)cc21
InChIInChI=1S/C13H18ClNO/c1-9(8-16)7-15-13-5-3-10-2-4-11(14)6-12(10)13/h2,4,6,9,13,15-16H,3,5,7-8H2,1H3
InChIKeyPNDKJVXVJSWXMO-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.55
Rot. Bonds4

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

3-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol (PubChem CID 115867699) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol
PubChem CID115867699
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol
SMILESCC(CO)CNC1CCc2ccc(Cl)cc21
InChIInChI=1S/C13H18ClNO/c1-9(8-16)7-15-13-5-3-10-2-4-11(14)6-12(10)13/h2,4,6,9,13,15-16H,3,5,7-8H2,1H3
InChIKeyPNDKJVXVJSWXMO-UHFFFAOYSA-N
XLogP2.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-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
6-chloro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383375
(2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
CID 97357898
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
2-(6-chloro-2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 105464630
4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-methylbutan-1-ol
CID 66091972
[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]hydrazine
CID 124537604
(2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906577
3-chloro-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62735993
6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 79367150

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol (CID 115867699) is 3-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol is CC(CO)CNC1CCc2ccc(Cl)cc21.
What is the InChIKey of 3-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol?
The InChIKey is PNDKJVXVJSWXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9(8-16)7-15-13-5-3-10-2-4-11(14)6-12(10)13/h2,4,6,9,13,15-16H,3,5,7-8H2,1H3.
What are the key properties of 3-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol?
3-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol has a molecular weight of 239.75 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 115867699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).