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

C23H25NO3 — CID 170856943

IUPAC2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol
SMILESNC(CO)Cc1cccc(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C23H25NO3/c24-21(15-25)14-20-12-7-13-22(26-16-18-8-3-1-4-9-18)23(20)27-17-19-10-5-2-6-11-19/h1-13,21,25H,14-17,24H2
InChIKeyZFHUDYLSNRWAFL-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.71
Rot. Bonds9

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

2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol (PubChem CID 170856943) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol
PubChem CID170856943
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol
SMILESNC(CO)Cc1cccc(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C23H25NO3/c24-21(15-25)14-20-12-7-13-22(26-16-18-8-3-1-4-9-18)23(20)27-17-19-10-5-2-6-11-19/h1-13,21,25H,14-17,24H2
InChIKeyZFHUDYLSNRWAFL-UHFFFAOYSA-N
XLogP3.71
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 170892300
2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 170893212
2-amino-3-[3,4-bis(phenylmethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893088
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol
CID 82394614
1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine
CID 22756712
2-(3-ethoxy-2-phenylmethoxyphenyl)-1-(furan-2-yl)ethanamine
CID 21157760
2-amino-2-(2-phenylmethoxyphenyl)ethanol
CID 77130440
(2S)-2-amino-2-(3-methoxy-2-phenylmethoxyphenyl)ethanol
CID 66515873
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995
1-[3-methoxy-2-(2-phenylmethoxyethoxy)phenyl]butan-2-amine
CID 112752251
1-(methoxymethoxymethyl)-2,3-bis(phenylmethoxy)benzene
CID 86164113

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol?
The IUPAC name of 2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol (CID 170856943) is 2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol is NC(CO)Cc1cccc(OCc2ccccc2)c1OCc1ccccc1.
What is the InChIKey of 2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol?
The InChIKey is ZFHUDYLSNRWAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c24-21(15-25)14-20-12-7-13-22(26-16-18-8-3-1-4-9-18)23(20)27-17-19-10-5-2-6-11-19/h1-13,21,25H,14-17,24H2.
What are the key properties of 2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol?
2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol has a molecular weight of 363.46 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 170856943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).