2-amino-3-[3,4-bis(phenylmethoxy)phenyl]propan-1-ol;hydrochloride

C23H26ClNO3 — CID 170893088

IUPAC2-amino-3-[3,4-bis(phenylmethoxy)phenyl]propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C23H25NO3.ClH/c24-21(15-25)13-20-11-12-22(26-16-18-7-3-1-4-8-18)23(14-20)27-17-19-9-5-2-6-10-19;/h1-12,14,21,25H,13,15-17,24H2;1H
InChIKeyZZIMATRNUILZNM-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.13
Rot. Bonds9

About 2-amino-3-[3,4-bis(phenylmethoxy)phenyl]propan-1-ol;hydrochloride

2-amino-3-[3,4-bis(phenylmethoxy)phenyl]propan-1-ol;hydrochloride (PubChem CID 170893088) has the molecular formula C23H26ClNO3 and a molecular weight of 399.92 g/mol. Its IUPAC name is 2-amino-3-[3,4-bis(phenylmethoxy)phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[3,4-bis(phenylmethoxy)phenyl]propan-1-ol;hydrochloride
PubChem CID170893088
Molecular FormulaC23H26ClNO3
Molecular Weight399.92 g/mol
Exact Mass399.16
IUPAC Name2-amino-3-[3,4-bis(phenylmethoxy)phenyl]propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C23H25NO3.ClH/c24-21(15-25)13-20-11-12-22(26-16-18-7-3-1-4-8-18)23(14-20)27-17-19-9-5-2-6-10-19;/h1-12,14,21,25H,13,15-17,24H2;1H
InChIKeyZZIMATRNUILZNM-UHFFFAOYSA-N
XLogP4.13
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate
CID 23238101
2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 170892300
2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol
CID 170856943
1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine
CID 107693258
(2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol
CID 66515702
[(2R)-2-(hydroxymethyl)-3-[4-(methoxymethoxy)-3-phenylmethoxyphenyl]propyl] acetate
CID 71574866
3-[3,4-bis(phenylmethoxy)phenyl]-2-(dibenzylamino)propanoic acid
CID 146659614
methyl (2S)-2-amino-3-[4-(methylcarbamoyloxy)-3-phenylmethoxyphenyl]propanoate;hydrochloride
CID 173105061
benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-propanoyloxypropanoate
CID 123604883
2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-ol
CID 170892579
(2R)-4-methoxy-1-(4-methoxy-3-phenylmethoxyphenyl)-3,3-dimethylbutan-2-amine
CID 125466336
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3,4-bis(phenylmethoxy)phenyl]propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-[3,4-bis(phenylmethoxy)phenyl]propan-1-ol;hydrochloride (CID 170893088) is 2-amino-3-[3,4-bis(phenylmethoxy)phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-[3,4-bis(phenylmethoxy)phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-[3,4-bis(phenylmethoxy)phenyl]propan-1-ol;hydrochloride is Cl.NC(CO)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of 2-amino-3-[3,4-bis(phenylmethoxy)phenyl]propan-1-ol;hydrochloride?
The InChIKey is ZZIMATRNUILZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3.ClH/c24-21(15-25)13-20-11-12-22(26-16-18-7-3-1-4-8-18)23(14-20)27-17-19-9-5-2-6-10-19;/h1-12,14,21,25H,13,15-17,24H2;1H.
What are the key properties of 2-amino-3-[3,4-bis(phenylmethoxy)phenyl]propan-1-ol;hydrochloride?
2-amino-3-[3,4-bis(phenylmethoxy)phenyl]propan-1-ol;hydrochloride has a molecular weight of 399.92 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3,4-bis(phenylmethoxy)phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170893088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).