4-(2-phenylphenoxy)-N-propan-2-ylbutan-1-amine

C19H25NO — CID 2297966

IUPAC4-(2-phenylphenoxy)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C19H25NO/c1-16(2)20-14-8-9-15-21-19-13-7-6-12-18(19)17-10-4-3-5-11-17/h3-7,10-13,16,20H,8-9,14-15H2,1-2H3
InChIKeyPTTDYHRQNKYRLV-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.51
Rot. Bonds8

About 4-(2-phenylphenoxy)-N-propan-2-ylbutan-1-amine

4-(2-phenylphenoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 2297966) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-(2-phenylphenoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(2-phenylphenoxy)-N-propan-2-ylbutan-1-amine
PubChem CID2297966
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-(2-phenylphenoxy)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C19H25NO/c1-16(2)20-14-8-9-15-21-19-13-7-6-12-18(19)17-10-4-3-5-11-17/h3-7,10-13,16,20H,8-9,14-15H2,1-2H3
InChIKeyPTTDYHRQNKYRLV-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.51
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 4-(2-phenylphenoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(2-phenylphenoxy)-N-propan-2-ylbutan-1-amine (CID 2297966) is 4-(2-phenylphenoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(2-phenylphenoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(2-phenylphenoxy)-N-propan-2-ylbutan-1-amine is CC(C)NCCCCOc1ccccc1-c1ccccc1.
What is the InChIKey of 4-(2-phenylphenoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is PTTDYHRQNKYRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-16(2)20-14-8-9-15-21-19-13-7-6-12-18(19)17-10-4-3-5-11-17/h3-7,10-13,16,20H,8-9,14-15H2,1-2H3.
What are the key properties of 4-(2-phenylphenoxy)-N-propan-2-ylbutan-1-amine?
4-(2-phenylphenoxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylphenoxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 2297966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).