2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol

C16H19NO2 — CID 62722209

IUPAC2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol
SMILESCOc1ccc(C(O)C(N)Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO2/c1-19-14-9-7-13(8-10-14)16(18)15(17)11-12-5-3-2-4-6-12/h2-10,15-16,18H,11,17H2,1H3
InChIKeyVLNYOGDZCMKHOG-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.30
Rot. Bonds5

About 2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol

2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol (PubChem CID 62722209) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol
PubChem CID62722209
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol
SMILESCOc1ccc(C(O)C(N)Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO2/c1-19-14-9-7-13(8-10-14)16(18)15(17)11-12-5-3-2-4-6-12/h2-10,15-16,18H,11,17H2,1H3
InChIKeyVLNYOGDZCMKHOG-UHFFFAOYSA-N
XLogP2.30
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
CID 171267031
2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol
CID 55111786
2-amino-1-(4-methoxyphenyl)propane-1,3-diol
CID 66204933
1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol
CID 135063762
(2S)-2-amino-3-(4-methoxyphenyl)propane-1,1-diol
CID 130242528
2-amino-1-(6-methoxy-2-pyridinyl)-3-phenylpropan-1-ol
CID 103347781
(1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171261088
(2R,3S)-3-amino-1-[(4-methoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 68608457
benzyl 4-[(1S,2R)-2-amino-1-hydroxy-3-phenylpropyl]benzoate
CID 101113286
[1-(4-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105190728
(2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide
CID 142702802
2-amino-3-phenyl-1-(3-propan-2-yloxyphenyl)propan-1-ol
CID 62720778

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol?
The IUPAC name of 2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol (CID 62722209) is 2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol?
The canonical SMILES for 2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol is COc1ccc(C(O)C(N)Cc2ccccc2)cc1.
What is the InChIKey of 2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol?
The InChIKey is VLNYOGDZCMKHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-19-14-9-7-13(8-10-14)16(18)15(17)11-12-5-3-2-4-6-12/h2-10,15-16,18H,11,17H2,1H3.
What are the key properties of 2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol?
2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol has a molecular weight of 257.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 62722209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).