2-amino-3-phenyl-1-(3-propan-2-yloxyphenyl)propan-1-ol

C18H23NO2 — CID 62720778

IUPAC2-amino-3-phenyl-1-(3-propan-2-yloxyphenyl)propan-1-ol
SMILESCC(C)Oc1cccc(C(O)C(N)Cc2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-13(2)21-16-10-6-9-15(12-16)18(20)17(19)11-14-7-4-3-5-8-14/h3-10,12-13,17-18,20H,11,19H2,1-2H3
InChIKeyJVIGZFPDUJKCTR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.08
Rot. Bonds6

About 2-amino-3-phenyl-1-(3-propan-2-yloxyphenyl)propan-1-ol

2-amino-3-phenyl-1-(3-propan-2-yloxyphenyl)propan-1-ol (PubChem CID 62720778) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-amino-3-phenyl-1-(3-propan-2-yloxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-phenyl-1-(3-propan-2-yloxyphenyl)propan-1-ol
PubChem CID62720778
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-amino-3-phenyl-1-(3-propan-2-yloxyphenyl)propan-1-ol
SMILESCC(C)Oc1cccc(C(O)C(N)Cc2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-13(2)21-16-10-6-9-15(12-16)18(20)17(19)11-14-7-4-3-5-8-14/h3-10,12-13,17-18,20H,11,19H2,1-2H3
InChIKeyJVIGZFPDUJKCTR-UHFFFAOYSA-N
XLogP3.08
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol
CID 115347510
1-(1-bromo-2-phenylethyl)-3-propan-2-yloxybenzene
CID 63530049
3-methyl-1-(3-propan-2-yloxyphenyl)butane-1,2-diol
CID 103456619
2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol
CID 62722209
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 62720952
(1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol
CID 171268459
methyl 2-[hydroxy-(3-propan-2-yloxyphenyl)methyl]-3-methylbutanoate
CID 62396964
[3-phenyl-1-(3-propan-2-yloxyphenyl)propyl]hydrazine
CID 105205731
2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 62919131
2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol
CID 106817793
2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol
CID 55245369

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-1-(3-propan-2-yloxyphenyl)propan-1-ol?
The IUPAC name of 2-amino-3-phenyl-1-(3-propan-2-yloxyphenyl)propan-1-ol (CID 62720778) is 2-amino-3-phenyl-1-(3-propan-2-yloxyphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-phenyl-1-(3-propan-2-yloxyphenyl)propan-1-ol?
The canonical SMILES for 2-amino-3-phenyl-1-(3-propan-2-yloxyphenyl)propan-1-ol is CC(C)Oc1cccc(C(O)C(N)Cc2ccccc2)c1.
What is the InChIKey of 2-amino-3-phenyl-1-(3-propan-2-yloxyphenyl)propan-1-ol?
The InChIKey is JVIGZFPDUJKCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(2)21-16-10-6-9-15(12-16)18(20)17(19)11-14-7-4-3-5-8-14/h3-10,12-13,17-18,20H,11,19H2,1-2H3.
What are the key properties of 2-amino-3-phenyl-1-(3-propan-2-yloxyphenyl)propan-1-ol?
2-amino-3-phenyl-1-(3-propan-2-yloxyphenyl)propan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-1-(3-propan-2-yloxyphenyl)propan-1-ol is sourced from PubChem (CID 62720778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).