3-[benzyl(methyl)amino]-1-phenylpropan-1-ol

C17H21NO — CID 15678556

IUPAC3-[benzyl(methyl)amino]-1-phenylpropan-1-ol
SMILESCN(CCC(O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H21NO/c1-18(14-15-8-4-2-5-9-15)13-12-17(19)16-10-6-3-7-11-16/h2-11,17,19H,12-14H2,1H3
InChIKeyHOJWFVSHZMXLAP-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.24
Rot. Bonds6

About 3-[benzyl(methyl)amino]-1-phenylpropan-1-ol

3-[benzyl(methyl)amino]-1-phenylpropan-1-ol (PubChem CID 15678556) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-1-phenylpropan-1-ol
PubChem CID15678556
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-[benzyl(methyl)amino]-1-phenylpropan-1-ol
SMILESCN(CCC(O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H21NO/c1-18(14-15-8-4-2-5-9-15)13-12-17(19)16-10-6-3-7-11-16/h2-11,17,19H,12-14H2,1H3
InChIKeyHOJWFVSHZMXLAP-UHFFFAOYSA-N
XLogP3.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[benzyl(methyl)amino]-1-phenylpropan-1-ol (CID 15678556) is 3-[benzyl(methyl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[benzyl(methyl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[benzyl(methyl)amino]-1-phenylpropan-1-ol is CN(CCC(O)c1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)amino]-1-phenylpropan-1-ol?
The InChIKey is HOJWFVSHZMXLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-18(14-15-8-4-2-5-9-15)13-12-17(19)16-10-6-3-7-11-16/h2-11,17,19H,12-14H2,1H3.
What are the key properties of 3-[benzyl(methyl)amino]-1-phenylpropan-1-ol?
3-[benzyl(methyl)amino]-1-phenylpropan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 15678556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).