(1R,2S)-1-[(4-chloro-3-fluorophenyl)methylamino]-2,3-dihydro-1H-inden-2-ol

C16H15ClFNO — CID 49463110

IUPAC(1R,2S)-1-[(4-chloro-3-fluorophenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESO[C@H]1Cc2ccccc2[C@H]1NCc1ccc(Cl)c(F)c1
InChIInChI=1S/C16H15ClFNO/c17-13-6-5-10(7-14(13)18)9-19-16-12-4-2-1-3-11(12)8-15(16)20/h1-7,15-16,19-20H,8-9H2/t15-,16+/m0/s1
InChIKeyWWIOWZBEWDDVIK-JKSUJKDBSA-N
MW291.75 g/mol
LogP3.23
Rot. Bonds3

About (1R,2S)-1-[(4-chloro-3-fluorophenyl)methylamino]-2,3-dihydro-1H-inden-2-ol

(1R,2S)-1-[(4-chloro-3-fluorophenyl)methylamino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 49463110) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is (1R,2S)-1-[(4-chloro-3-fluorophenyl)methylamino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[(4-chloro-3-fluorophenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
PubChem CID49463110
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name(1R,2S)-1-[(4-chloro-3-fluorophenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESO[C@H]1Cc2ccccc2[C@H]1NCc1ccc(Cl)c(F)c1
InChIInChI=1S/C16H15ClFNO/c17-13-6-5-10(7-14(13)18)9-19-16-12-4-2-1-3-11(12)8-15(16)20/h1-7,15-16,19-20H,8-9H2/t15-,16+/m0/s1
InChIKeyWWIOWZBEWDDVIK-JKSUJKDBSA-N
XLogP3.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(3,4-dichlorophenyl)cyclohexyl]methylamino]-2,3-dihydro-1H-inden-2-ol
CID 68674733
4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol hydrochloride
CID 43810643
(1S,2R)-1-(methylamino)-2,3-dihydro-1H-inden-2-ol hydrochloride
CID 155820296
(1R,2S)-1-(methylamino)-2,3-dihydro-1H-inden-2-ol hydrochloride
CID 155858608
(1R,2S)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1-fluoro-1-phenylpropan-2-ol
CID 101765240
1-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiourea
CID 59202285
(1S,3S)-1-[(3-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol
CID 59581898
(1S,3S)-1-[(4-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol
CID 59581942
(1S,3S)-1-[(3,4-difluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol
CID 59582019
(1S,3R)-1-[(4-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol
CID 59582023
(1S,3R)-1-[(3,4-difluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol
CID 59582054
(1S,3R)-1-[(3-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol
CID 59582063

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(4-chloro-3-fluorophenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-[(4-chloro-3-fluorophenyl)methylamino]-2,3-dihydro-1H-inden-2-ol (CID 49463110) is (1R,2S)-1-[(4-chloro-3-fluorophenyl)methylamino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-[(4-chloro-3-fluorophenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-[(4-chloro-3-fluorophenyl)methylamino]-2,3-dihydro-1H-inden-2-ol is O[C@H]1Cc2ccccc2[C@H]1NCc1ccc(Cl)c(F)c1.
What is the InChIKey of (1R,2S)-1-[(4-chloro-3-fluorophenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is WWIOWZBEWDDVIK-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H15ClFNO/c17-13-6-5-10(7-14(13)18)9-19-16-12-4-2-1-3-11(12)8-15(16)20/h1-7,15-16,19-20H,8-9H2/t15-,16+/m0/s1.
What are the key properties of (1R,2S)-1-[(4-chloro-3-fluorophenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-[(4-chloro-3-fluorophenyl)methylamino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 291.75 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[(4-chloro-3-fluorophenyl)methylamino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 49463110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).