N-benzyl-5-phenylmethoxypentan-2-amine

C19H25NO — CID 166642928

IUPACN-benzyl-5-phenylmethoxypentan-2-amine
SMILESCC(CCCOCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C19H25NO/c1-17(20-15-18-10-4-2-5-11-18)9-8-14-21-16-19-12-6-3-7-13-19/h2-7,10-13,17,20H,8-9,14-16H2,1H3
InChIKeyZNPUXVXDYLGOQD-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.16
Rot. Bonds9

About N-benzyl-5-phenylmethoxypentan-2-amine

N-benzyl-5-phenylmethoxypentan-2-amine (PubChem CID 166642928) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-benzyl-5-phenylmethoxypentan-2-amine.

Molecular Properties

Compound NameN-benzyl-5-phenylmethoxypentan-2-amine
PubChem CID166642928
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-benzyl-5-phenylmethoxypentan-2-amine
SMILESCC(CCCOCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C19H25NO/c1-17(20-15-18-10-4-2-5-11-18)9-8-14-21-16-19-12-6-3-7-13-19/h2-7,10-13,17,20H,8-9,14-16H2,1H3
InChIKeyZNPUXVXDYLGOQD-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-phenylmethoxypentan-2-amine?
The IUPAC name of N-benzyl-5-phenylmethoxypentan-2-amine (CID 166642928) is N-benzyl-5-phenylmethoxypentan-2-amine.
What is the SMILES notation for N-benzyl-5-phenylmethoxypentan-2-amine?
The canonical SMILES for N-benzyl-5-phenylmethoxypentan-2-amine is CC(CCCOCc1ccccc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-5-phenylmethoxypentan-2-amine?
The InChIKey is ZNPUXVXDYLGOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-17(20-15-18-10-4-2-5-11-18)9-8-14-21-16-19-12-6-3-7-13-19/h2-7,10-13,17,20H,8-9,14-16H2,1H3.
What are the key properties of N-benzyl-5-phenylmethoxypentan-2-amine?
N-benzyl-5-phenylmethoxypentan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-phenylmethoxypentan-2-amine is sourced from PubChem (CID 166642928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).