(1S)-N-benzyl-N-(methoxymethyl)-1-phenylethanamine

C17H21NO — CID 59522916

IUPAC(1S)-N-benzyl-N-(methoxymethyl)-1-phenylethanamine
SMILESCOCN(Cc1ccccc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C17H21NO/c1-15(17-11-7-4-8-12-17)18(14-19-2)13-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1
InChIKeyQGTMLECFLKQAKZ-HNNXBMFYSA-N
MW255.36 g/mol
LogP3.85
Rot. Bonds6

About (1S)-N-benzyl-N-(methoxymethyl)-1-phenylethanamine

(1S)-N-benzyl-N-(methoxymethyl)-1-phenylethanamine (PubChem CID 59522916) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (1S)-N-benzyl-N-(methoxymethyl)-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-benzyl-N-(methoxymethyl)-1-phenylethanamine
PubChem CID59522916
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(1S)-N-benzyl-N-(methoxymethyl)-1-phenylethanamine
SMILESCOCN(Cc1ccccc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C17H21NO/c1-15(17-11-7-4-8-12-17)18(14-19-2)13-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1
InChIKeyQGTMLECFLKQAKZ-HNNXBMFYSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-benzyl-N-(methoxymethyl)-1-phenylethanamine?
The IUPAC name of (1S)-N-benzyl-N-(methoxymethyl)-1-phenylethanamine (CID 59522916) is (1S)-N-benzyl-N-(methoxymethyl)-1-phenylethanamine.
What is the SMILES notation for (1S)-N-benzyl-N-(methoxymethyl)-1-phenylethanamine?
The canonical SMILES for (1S)-N-benzyl-N-(methoxymethyl)-1-phenylethanamine is COCN(Cc1ccccc1)[C@@H](C)c1ccccc1.
What is the InChIKey of (1S)-N-benzyl-N-(methoxymethyl)-1-phenylethanamine?
The InChIKey is QGTMLECFLKQAKZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21NO/c1-15(17-11-7-4-8-12-17)18(14-19-2)13-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-N-benzyl-N-(methoxymethyl)-1-phenylethanamine?
(1S)-N-benzyl-N-(methoxymethyl)-1-phenylethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-benzyl-N-(methoxymethyl)-1-phenylethanamine is sourced from PubChem (CID 59522916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).