2-amino-3-(4-benzyl-2-methylphenoxy)propan-1-ol

C17H21NO2 — CID 19424104

IUPAC2-amino-3-(4-benzyl-2-methylphenoxy)propan-1-ol
SMILESCc1cc(Cc2ccccc2)ccc1OCC(N)CO
InChIInChI=1S/C17H21NO2/c1-13-9-15(10-14-5-3-2-4-6-14)7-8-17(13)20-12-16(18)11-19/h2-9,16,19H,10-12,18H2,1H3
InChIKeyXDAHSIWAOMLCPO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.28
Rot. Bonds6

About 2-amino-3-(4-benzyl-2-methylphenoxy)propan-1-ol

2-amino-3-(4-benzyl-2-methylphenoxy)propan-1-ol (PubChem CID 19424104) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-amino-3-(4-benzyl-2-methylphenoxy)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(4-benzyl-2-methylphenoxy)propan-1-ol
PubChem CID19424104
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-amino-3-(4-benzyl-2-methylphenoxy)propan-1-ol
SMILESCc1cc(Cc2ccccc2)ccc1OCC(N)CO
InChIInChI=1S/C17H21NO2/c1-13-9-15(10-14-5-3-2-4-6-14)7-8-17(13)20-12-16(18)11-19/h2-9,16,19H,10-12,18H2,1H3
InChIKeyXDAHSIWAOMLCPO-UHFFFAOYSA-N
XLogP2.28
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-benzyl-2-methylphenoxy)propan-1-ol?
The IUPAC name of 2-amino-3-(4-benzyl-2-methylphenoxy)propan-1-ol (CID 19424104) is 2-amino-3-(4-benzyl-2-methylphenoxy)propan-1-ol.
What is the SMILES notation for 2-amino-3-(4-benzyl-2-methylphenoxy)propan-1-ol?
The canonical SMILES for 2-amino-3-(4-benzyl-2-methylphenoxy)propan-1-ol is Cc1cc(Cc2ccccc2)ccc1OCC(N)CO.
What is the InChIKey of 2-amino-3-(4-benzyl-2-methylphenoxy)propan-1-ol?
The InChIKey is XDAHSIWAOMLCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13-9-15(10-14-5-3-2-4-6-14)7-8-17(13)20-12-16(18)11-19/h2-9,16,19H,10-12,18H2,1H3.
What are the key properties of 2-amino-3-(4-benzyl-2-methylphenoxy)propan-1-ol?
2-amino-3-(4-benzyl-2-methylphenoxy)propan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-benzyl-2-methylphenoxy)propan-1-ol is sourced from PubChem (CID 19424104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).