2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine

C18H23NO — CID 15261432

IUPAC2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
SMILESCC(ONC(c1ccccc1)C(C)C)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14(2)18(17-12-8-5-9-13-17)19-20-15(3)16-10-6-4-7-11-16/h4-15,18-19H,1-3H3
InChIKeyKBRRXLFSRSFPAO-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.67
Rot. Bonds6

About 2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine

2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine (PubChem CID 15261432) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
PubChem CID15261432
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
SMILESCC(ONC(c1ccccc1)C(C)C)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14(2)18(17-12-8-5-9-13-17)19-20-15(3)16-10-6-4-7-11-16/h4-15,18-19H,1-3H3
InChIKeyKBRRXLFSRSFPAO-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.67
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 2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine?
The IUPAC name of 2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine (CID 15261432) is 2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine.
What is the SMILES notation for 2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine?
The canonical SMILES for 2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine is CC(ONC(c1ccccc1)C(C)C)c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine?
The InChIKey is KBRRXLFSRSFPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(2)18(17-12-8-5-9-13-17)19-20-15(3)16-10-6-4-7-11-16/h4-15,18-19H,1-3H3.
What are the key properties of 2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine?
2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine is sourced from PubChem (CID 15261432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).