N-phenylmethoxypropan-2-amine

C10H15NO — CID 10558981

IUPACN-phenylmethoxypropan-2-amine
SMILESCC(C)NOCc1ccccc1
InChIInChI=1S/C10H15NO/c1-9(2)11-12-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyXWAKWIGFRSCSLI-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.12
Rot. Bonds4

About N-phenylmethoxypropan-2-amine

N-phenylmethoxypropan-2-amine (PubChem CID 10558981) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-phenylmethoxypropan-2-amine.

Molecular Properties

Compound NameN-phenylmethoxypropan-2-amine
PubChem CID10558981
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-phenylmethoxypropan-2-amine
SMILESCC(C)NOCc1ccccc1
InChIInChI=1S/C10H15NO/c1-9(2)11-12-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyXWAKWIGFRSCSLI-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
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-phenylmethoxypropan-2-amine?
The IUPAC name of N-phenylmethoxypropan-2-amine (CID 10558981) is N-phenylmethoxypropan-2-amine.
What is the SMILES notation for N-phenylmethoxypropan-2-amine?
The canonical SMILES for N-phenylmethoxypropan-2-amine is CC(C)NOCc1ccccc1.
What is the InChIKey of N-phenylmethoxypropan-2-amine?
The InChIKey is XWAKWIGFRSCSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-9(2)11-12-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3.
What are the key properties of N-phenylmethoxypropan-2-amine?
N-phenylmethoxypropan-2-amine has a molecular weight of 165.24 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxypropan-2-amine is sourced from PubChem (CID 10558981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).