(1R)-2-[[(4R)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]amino]-1-(4-methoxyphenyl)ethanol

C19H25NO3 — CID 97321724

IUPAC(1R)-2-[[(4R)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]amino]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@@H](O)CN[C@@H]2CC(C)(C)Cc3occc32)cc1
InChIInChI=1S/C19H25NO3/c1-19(2)10-16(15-8-9-23-18(15)11-19)20-12-17(21)13-4-6-14(22-3)7-5-13/h4-9,16-17,20-21H,10-12H2,1-3H3/t16-,17+/m1/s1
InChIKeyKYCWPILOBLKWQK-SJORKVTESA-N
MW315.41 g/mol
LogP3.62
Rot. Bonds5

About (1R)-2-[[(4R)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]amino]-1-(4-methoxyphenyl)ethanol

(1R)-2-[[(4R)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]amino]-1-(4-methoxyphenyl)ethanol (PubChem CID 97321724) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (1R)-2-[[(4R)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]amino]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[[(4R)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]amino]-1-(4-methoxyphenyl)ethanol
PubChem CID97321724
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(1R)-2-[[(4R)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]amino]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@@H](O)CN[C@@H]2CC(C)(C)Cc3occc32)cc1
InChIInChI=1S/C19H25NO3/c1-19(2)10-16(15-8-9-23-18(15)11-19)20-12-17(21)13-4-6-14(22-3)7-5-13/h4-9,16-17,20-21H,10-12H2,1-3H3/t16-,17+/m1/s1
InChIKeyKYCWPILOBLKWQK-SJORKVTESA-N
XLogP3.62
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-2-[[(4R)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]amino]-1-(4-methoxyphenyl)ethanol with MolForge

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Related Compounds

2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 81422251
2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol
CID 13438548
2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 79871773
2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
(1S)-2-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol
CID 97229560
(1S)-2-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol
CID 97229562
1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol
CID 71941895
2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methylcyclopropan-1-ol
CID 102346036
2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60760718
2-hydrazinyl-1-(4-methoxyphenyl)ethanol
CID 21361112
2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 64742281
2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 64743967

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[(4R)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]amino]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of (1R)-2-[[(4R)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]amino]-1-(4-methoxyphenyl)ethanol (CID 97321724) is (1R)-2-[[(4R)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]amino]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for (1R)-2-[[(4R)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]amino]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for (1R)-2-[[(4R)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]amino]-1-(4-methoxyphenyl)ethanol is COc1ccc([C@@H](O)CN[C@@H]2CC(C)(C)Cc3occc32)cc1.
What is the InChIKey of (1R)-2-[[(4R)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]amino]-1-(4-methoxyphenyl)ethanol?
The InChIKey is KYCWPILOBLKWQK-SJORKVTESA-N. The full InChI is InChI=1S/C19H25NO3/c1-19(2)10-16(15-8-9-23-18(15)11-19)20-12-17(21)13-4-6-14(22-3)7-5-13/h4-9,16-17,20-21H,10-12H2,1-3H3/t16-,17+/m1/s1.
What are the key properties of (1R)-2-[[(4R)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]amino]-1-(4-methoxyphenyl)ethanol?
(1R)-2-[[(4R)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]amino]-1-(4-methoxyphenyl)ethanol has a molecular weight of 315.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[(4R)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]amino]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 97321724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).