(1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol

C19H25NO3 — CID 154335865

IUPAC(1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol
SMILESCC(O)Oc1ccc(C[C@@H](C)NC[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C19H25NO3/c1-14(20-13-19(22)17-6-4-3-5-7-17)12-16-8-10-18(11-9-16)23-15(2)21/h3-11,14-15,19-22H,12-13H2,1-2H3/t14-,15?,19+/m1/s1
InChIKeyOZRIMYVSINKSQO-PBIBAUFZSA-N
MW315.41 g/mol
LogP2.66
Rot. Bonds8

About (1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol

(1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol (PubChem CID 154335865) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol
PubChem CID154335865
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol
SMILESCC(O)Oc1ccc(C[C@@H](C)NC[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C19H25NO3/c1-14(20-13-19(22)17-6-4-3-5-7-17)12-16-8-10-18(11-9-16)23-15(2)21/h3-11,14-15,19-22H,12-13H2,1-2H3/t14-,15?,19+/m1/s1
InChIKeyOZRIMYVSINKSQO-PBIBAUFZSA-N
XLogP2.66
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate
CID 154281922
methyl 4-[(2S)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate
CID 22823728
2-[4-[2-[[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]phenoxy]butanamide
CID 67933250
(1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol
CID 54165466
(1R)-1-(3-chlorophenyl)-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethanol
CID 70005129
methyl 3-[4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]phenyl]but-2-enoate
CID 54381309
4-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenyl]-2-propan-2-yloxybenzoic acid;hydrochloride
CID 24895360
2-[(2-hydroxy-2-phenylethyl)amino]propan-1-ol
CID 60886442
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanol
CID 60766376
4-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenyl]-2-propoxybenzoic acid
CID 69053851

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol?
The IUPAC name of (1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol (CID 154335865) is (1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol is CC(O)Oc1ccc(C[C@@H](C)NC[C@H](O)c2ccccc2)cc1.
What is the InChIKey of (1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol?
The InChIKey is OZRIMYVSINKSQO-PBIBAUFZSA-N. The full InChI is InChI=1S/C19H25NO3/c1-14(20-13-19(22)17-6-4-3-5-7-17)12-16-8-10-18(11-9-16)23-15(2)21/h3-11,14-15,19-22H,12-13H2,1-2H3/t14-,15?,19+/m1/s1.
What are the key properties of (1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol?
(1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol has a molecular weight of 315.41 g/mol, XLogP of 2.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol is sourced from PubChem (CID 154335865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).