N-benzhydryloxypropan-1-amine

C16H19NO — CID 88804497

IUPACN-benzhydryloxypropan-1-amine
SMILESCCCNOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c1-2-13-17-18-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3
InChIKeyAIUFFJGYXBCOSM-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.71
Rot. Bonds6

About N-benzhydryloxypropan-1-amine

N-benzhydryloxypropan-1-amine (PubChem CID 88804497) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-benzhydryloxypropan-1-amine.

Molecular Properties

Compound NameN-benzhydryloxypropan-1-amine
PubChem CID88804497
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-benzhydryloxypropan-1-amine
SMILESCCCNOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c1-2-13-17-18-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3
InChIKeyAIUFFJGYXBCOSM-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryloxypropan-1-amine?
The IUPAC name of N-benzhydryloxypropan-1-amine (CID 88804497) is N-benzhydryloxypropan-1-amine.
What is the SMILES notation for N-benzhydryloxypropan-1-amine?
The canonical SMILES for N-benzhydryloxypropan-1-amine is CCCNOC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryloxypropan-1-amine?
The InChIKey is AIUFFJGYXBCOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-13-17-18-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3.
What are the key properties of N-benzhydryloxypropan-1-amine?
N-benzhydryloxypropan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryloxypropan-1-amine is sourced from PubChem (CID 88804497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).