[2-[2-amino-1-(4-methoxyphenyl)propoxy]phenyl]methanol

C17H21NO3 — CID 63652901

IUPAC[2-[2-amino-1-(4-methoxyphenyl)propoxy]phenyl]methanol
SMILESCOc1ccc(C(Oc2ccccc2CO)C(C)N)cc1
InChIInChI=1S/C17H21NO3/c1-12(18)17(13-7-9-15(20-2)10-8-13)21-16-6-4-3-5-14(16)11-19/h3-10,12,17,19H,11,18H2,1-2H3
InChIKeyVNVREUWAWUWUGR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.65
Rot. Bonds6

About [2-[2-amino-1-(4-methoxyphenyl)propoxy]phenyl]methanol

[2-[2-amino-1-(4-methoxyphenyl)propoxy]phenyl]methanol (PubChem CID 63652901) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is [2-[2-amino-1-(4-methoxyphenyl)propoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-amino-1-(4-methoxyphenyl)propoxy]phenyl]methanol
PubChem CID63652901
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name[2-[2-amino-1-(4-methoxyphenyl)propoxy]phenyl]methanol
SMILESCOc1ccc(C(Oc2ccccc2CO)C(C)N)cc1
InChIInChI=1S/C17H21NO3/c1-12(18)17(13-7-9-15(20-2)10-8-13)21-16-6-4-3-5-14(16)11-19/h3-10,12,17,19H,11,18H2,1-2H3
InChIKeyVNVREUWAWUWUGR-UHFFFAOYSA-N
XLogP2.65
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-amino-1-(4-methoxyphenyl)propoxy]phenyl]methanol?
The IUPAC name of [2-[2-amino-1-(4-methoxyphenyl)propoxy]phenyl]methanol (CID 63652901) is [2-[2-amino-1-(4-methoxyphenyl)propoxy]phenyl]methanol.
What is the SMILES notation for [2-[2-amino-1-(4-methoxyphenyl)propoxy]phenyl]methanol?
The canonical SMILES for [2-[2-amino-1-(4-methoxyphenyl)propoxy]phenyl]methanol is COc1ccc(C(Oc2ccccc2CO)C(C)N)cc1.
What is the InChIKey of [2-[2-amino-1-(4-methoxyphenyl)propoxy]phenyl]methanol?
The InChIKey is VNVREUWAWUWUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(18)17(13-7-9-15(20-2)10-8-13)21-16-6-4-3-5-14(16)11-19/h3-10,12,17,19H,11,18H2,1-2H3.
What are the key properties of [2-[2-amino-1-(4-methoxyphenyl)propoxy]phenyl]methanol?
[2-[2-amino-1-(4-methoxyphenyl)propoxy]phenyl]methanol has a molecular weight of 287.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-amino-1-(4-methoxyphenyl)propoxy]phenyl]methanol is sourced from PubChem (CID 63652901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).