(2R)-2-[[(1S)-5-chloro-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-2-phenylethanol

C19H22ClNO — CID 66797682

IUPAC(2R)-2-[[(1S)-5-chloro-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-2-phenylethanol
SMILESCC1(C)C[C@H](N[C@@H](CO)c2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C19H22ClNO/c1-19(2)11-17(15-9-8-14(20)10-16(15)19)21-18(12-22)13-6-4-3-5-7-13/h3-10,17-18,21-22H,11-12H2,1-2H3/t17-,18-/m0/s1
InChIKeyQHIRLPBZOYACTJ-ROUUACIJSA-N
MW315.84 g/mol
LogP4.39
Rot. Bonds4

About (2R)-2-[[(1S)-5-chloro-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-2-phenylethanol

(2R)-2-[[(1S)-5-chloro-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-2-phenylethanol (PubChem CID 66797682) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is (2R)-2-[[(1S)-5-chloro-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[(1S)-5-chloro-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-2-phenylethanol
PubChem CID66797682
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name(2R)-2-[[(1S)-5-chloro-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-2-phenylethanol
SMILESCC1(C)C[C@H](N[C@@H](CO)c2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C19H22ClNO/c1-19(2)11-17(15-9-8-14(20)10-16(15)19)21-18(12-22)13-6-4-3-5-7-13/h3-10,17-18,21-22H,11-12H2,1-2H3/t17-,18-/m0/s1
InChIKeyQHIRLPBZOYACTJ-ROUUACIJSA-N
XLogP4.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[[(1S)-5-chloro-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-2-phenylethanol with MolForge

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Related Compounds

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2-[[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]amino]ethanol;hydrochloride
CID 45260249
(1R,3aR,4S,5S,7aR)-5-[(3-chlorophenyl)methylamino]-3a,7a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7-hexahydro-1H-inden-4-ol
CID 71582968
(1R,3aR,4R,5S,7aR)-5-[(3-chlorophenyl)methylamino]-3a,7a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7-hexahydro-1H-inden-4-ol
CID 71583186
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CID 71315944
2-[[(9R)-2,4,7-trichloro-9H-fluoren-9-yl]amino]ethanol
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2-[[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]amino]ethanol
CID 13543894
(1R,2S)-1-[(4-chloro-3-fluorophenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463110
(1R,2R)-1-amino-1'-[(3-chloro-4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-5-chloro-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[(1S)-5-chloro-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-2-phenylethanol (CID 66797682) is (2R)-2-[[(1S)-5-chloro-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[(1S)-5-chloro-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[(1S)-5-chloro-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-2-phenylethanol is CC1(C)C[C@H](N[C@@H](CO)c2ccccc2)c2ccc(Cl)cc21.
What is the InChIKey of (2R)-2-[[(1S)-5-chloro-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-2-phenylethanol?
The InChIKey is QHIRLPBZOYACTJ-ROUUACIJSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-19(2)11-17(15-9-8-14(20)10-16(15)19)21-18(12-22)13-6-4-3-5-7-13/h3-10,17-18,21-22H,11-12H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of (2R)-2-[[(1S)-5-chloro-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-2-phenylethanol?
(2R)-2-[[(1S)-5-chloro-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-2-phenylethanol has a molecular weight of 315.84 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-5-chloro-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-2-phenylethanol is sourced from PubChem (CID 66797682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).