4-[[[(2R)-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]-3-hydroxypropyl]amino]methyl]phenol

C24H33NO3 — CID 1101232

IUPAC4-[[[(2R)-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]-3-hydroxypropyl]amino]methyl]phenol
SMILESCC1(C)C[C@](Cc2ccccc2)(C(CO)CNCc2ccc(O)cc2)CCO1
InChIInChI=1S/C24H33NO3/c1-23(2)18-24(12-13-28-23,14-19-6-4-3-5-7-19)21(17-26)16-25-15-20-8-10-22(27)11-9-20/h3-11,21,25-27H,12-18H2,1-2H3/t21?,24-/m0/s1
InChIKeyWFIMTRYBFNMGJD-FHZUCYEKSA-N
MW383.53 g/mol
LogP3.91
Rot. Bonds8

About 4-[[[(2R)-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]-3-hydroxypropyl]amino]methyl]phenol

4-[[[(2R)-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]-3-hydroxypropyl]amino]methyl]phenol (PubChem CID 1101232) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 4-[[[(2R)-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]-3-hydroxypropyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[[(2R)-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]-3-hydroxypropyl]amino]methyl]phenol
PubChem CID1101232
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name4-[[[(2R)-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]-3-hydroxypropyl]amino]methyl]phenol
SMILESCC1(C)C[C@](Cc2ccccc2)(C(CO)CNCc2ccc(O)cc2)CCO1
InChIInChI=1S/C24H33NO3/c1-23(2)18-24(12-13-28-23,14-19-6-4-3-5-7-19)21(17-26)16-25-15-20-8-10-22(27)11-9-20/h3-11,21,25-27H,12-18H2,1-2H3/t21?,24-/m0/s1
InChIKeyWFIMTRYBFNMGJD-FHZUCYEKSA-N
XLogP3.91
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[[(2R)-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]-3-hydroxypropyl]amino]methyl]phenol with MolForge

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Related Compounds

(2S)-2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]-3-[(4-methoxyphenyl)methylamino]propan-1-ol
CID 7076902
(2R)-2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-3-[(4-methoxyphenyl)methylamino]propan-1-ol
CID 7076904
[(2S)-2-[(4S)-4-benzyl-2,2-dimethyloxan-4-yl]-3-hydroxypropyl]-[(3,4-dimethoxyphenyl)methyl]azanium
CID 7374760
N-benzyl-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]ethanamine
CID 42564070
benzyl-[(2R)-2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-3-hydroxypropyl]azanium
CID 6962379
4-[2-(benzylamino)-1-(4-hydroxyphenyl)ethyl]phenol;hydrochloride
CID 139702369
2-(benzylamino)-2-(1-methylcyclopentyl)ethanol
CID 130768817
4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol
CID 115641600
4-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2,2-dimethyloxan-4-ol
CID 2902360
4-[2-[(4-methoxyphenyl)methylamino]ethyl]-2,2-dimethyloxan-4-ol
CID 3105290
N-benzyl-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]propanamide
CID 3471275
3-(benzylamino)-2-(2,2-dimethyl-1,3-dioxol-4-yl)propan-1-ol
CID 141202028

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2R)-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]-3-hydroxypropyl]amino]methyl]phenol?
The IUPAC name of 4-[[[(2R)-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]-3-hydroxypropyl]amino]methyl]phenol (CID 1101232) is 4-[[[(2R)-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]-3-hydroxypropyl]amino]methyl]phenol.
What is the SMILES notation for 4-[[[(2R)-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]-3-hydroxypropyl]amino]methyl]phenol?
The canonical SMILES for 4-[[[(2R)-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]-3-hydroxypropyl]amino]methyl]phenol is CC1(C)C[C@](Cc2ccccc2)(C(CO)CNCc2ccc(O)cc2)CCO1.
What is the InChIKey of 4-[[[(2R)-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]-3-hydroxypropyl]amino]methyl]phenol?
The InChIKey is WFIMTRYBFNMGJD-FHZUCYEKSA-N. The full InChI is InChI=1S/C24H33NO3/c1-23(2)18-24(12-13-28-23,14-19-6-4-3-5-7-19)21(17-26)16-25-15-20-8-10-22(27)11-9-20/h3-11,21,25-27H,12-18H2,1-2H3/t21?,24-/m0/s1.
What are the key properties of 4-[[[(2R)-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]-3-hydroxypropyl]amino]methyl]phenol?
4-[[[(2R)-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]-3-hydroxypropyl]amino]methyl]phenol has a molecular weight of 383.53 g/mol, XLogP of 3.91, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2R)-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]-3-hydroxypropyl]amino]methyl]phenol is sourced from PubChem (CID 1101232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).