N-benzyl-N-phenylmethoxypropan-2-amine

C17H21NO — CID 134883639

IUPACN-benzyl-N-phenylmethoxypropan-2-amine
SMILESCC(C)N(Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H21NO/c1-15(2)18(13-16-9-5-3-6-10-16)19-14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
InChIKeyKQMKGSBHIFXPDR-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.03
Rot. Bonds6

About N-benzyl-N-phenylmethoxypropan-2-amine

N-benzyl-N-phenylmethoxypropan-2-amine (PubChem CID 134883639) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-benzyl-N-phenylmethoxypropan-2-amine.

Molecular Properties

Compound NameN-benzyl-N-phenylmethoxypropan-2-amine
PubChem CID134883639
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-benzyl-N-phenylmethoxypropan-2-amine
SMILESCC(C)N(Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H21NO/c1-15(2)18(13-16-9-5-3-6-10-16)19-14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
InChIKeyKQMKGSBHIFXPDR-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-phenylmethoxypropan-2-amine?
The IUPAC name of N-benzyl-N-phenylmethoxypropan-2-amine (CID 134883639) is N-benzyl-N-phenylmethoxypropan-2-amine.
What is the SMILES notation for N-benzyl-N-phenylmethoxypropan-2-amine?
The canonical SMILES for N-benzyl-N-phenylmethoxypropan-2-amine is CC(C)N(Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of N-benzyl-N-phenylmethoxypropan-2-amine?
The InChIKey is KQMKGSBHIFXPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-15(2)18(13-16-9-5-3-6-10-16)19-14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3.
What are the key properties of N-benzyl-N-phenylmethoxypropan-2-amine?
N-benzyl-N-phenylmethoxypropan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-phenylmethoxypropan-2-amine is sourced from PubChem (CID 134883639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).