2-[benzyl(methyl)amino]-1-phenylethanol

C16H19NO — CID 10466877

IUPAC2-[benzyl(methyl)amino]-1-phenylethanol
SMILESCN(Cc1ccccc1)CC(O)c1ccccc1
InChIInChI=1S/C16H19NO/c1-17(12-14-8-4-2-5-9-14)13-16(18)15-10-6-3-7-11-15/h2-11,16,18H,12-13H2,1H3
InChIKeySTCYDMAVKVKJBI-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.85
Rot. Bonds5

About 2-[benzyl(methyl)amino]-1-phenylethanol

2-[benzyl(methyl)amino]-1-phenylethanol (PubChem CID 10466877) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1-phenylethanol
PubChem CID10466877
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-[benzyl(methyl)amino]-1-phenylethanol
SMILESCN(Cc1ccccc1)CC(O)c1ccccc1
InChIInChI=1S/C16H19NO/c1-17(12-14-8-4-2-5-9-14)13-16(18)15-10-6-3-7-11-15/h2-11,16,18H,12-13H2,1H3
InChIKeySTCYDMAVKVKJBI-UHFFFAOYSA-N
XLogP2.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-1-phenylethanol?
The IUPAC name of 2-[benzyl(methyl)amino]-1-phenylethanol (CID 10466877) is 2-[benzyl(methyl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1-phenylethanol?
The canonical SMILES for 2-[benzyl(methyl)amino]-1-phenylethanol is CN(Cc1ccccc1)CC(O)c1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-1-phenylethanol?
The InChIKey is STCYDMAVKVKJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-17(12-14-8-4-2-5-9-14)13-16(18)15-10-6-3-7-11-15/h2-11,16,18H,12-13H2,1H3.
What are the key properties of 2-[benzyl(methyl)amino]-1-phenylethanol?
2-[benzyl(methyl)amino]-1-phenylethanol has a molecular weight of 241.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-1-phenylethanol is sourced from PubChem (CID 10466877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).