1-(2-phenoxyphenyl)butan-2-amine

C16H19NO — CID 63803280

IUPAC1-(2-phenoxyphenyl)butan-2-amine
SMILESCCC(N)Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C16H19NO/c1-2-14(17)12-13-8-6-7-11-16(13)18-15-9-4-3-5-10-15/h3-11,14H,2,12,17H2,1H3
InChIKeyOBITTYSXESGTCV-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.76
Rot. Bonds5

About 1-(2-phenoxyphenyl)butan-2-amine

1-(2-phenoxyphenyl)butan-2-amine (PubChem CID 63803280) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(2-phenoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-phenoxyphenyl)butan-2-amine
PubChem CID63803280
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(2-phenoxyphenyl)butan-2-amine
SMILESCCC(N)Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C16H19NO/c1-2-14(17)12-13-8-6-7-11-16(13)18-15-9-4-3-5-10-15/h3-11,14H,2,12,17H2,1H3
InChIKeyOBITTYSXESGTCV-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-phenoxyphenyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride
CID 170889351
1-[2-(3,5-dimethylphenoxy)phenyl]butan-2-amine;hydrochloride
CID 170889352
1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine
CID 107661732
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine
CID 116804290
1-(3-methyl-4-phenoxyphenyl)butan-2-amine
CID 63803795
2-[2-(2-aminobutyl)phenoxy]butanoic acid
CID 64661989
1-[2-(2-bromo-4-methylphenoxy)phenyl]butan-2-amine
CID 63802120
1-[4-chloro-2-(2-ethylphenoxy)phenyl]butan-2-amine
CID 114863092
1-[2-(4-bromo-2-fluorophenoxy)phenyl]butan-2-amine
CID 63815769
1-[2-(5-bromo-2-fluorophenoxy)phenyl]butan-2-amine
CID 114677108
1-[2-(4-bromo-2,5-dichlorophenoxy)phenyl]butan-2-amine
CID 107661682
1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63815425

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyphenyl)butan-2-amine?
The IUPAC name of 1-(2-phenoxyphenyl)butan-2-amine (CID 63803280) is 1-(2-phenoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-phenoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(2-phenoxyphenyl)butan-2-amine is CCC(N)Cc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-(2-phenoxyphenyl)butan-2-amine?
The InChIKey is OBITTYSXESGTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-14(17)12-13-8-6-7-11-16(13)18-15-9-4-3-5-10-15/h3-11,14H,2,12,17H2,1H3.
What are the key properties of 1-(2-phenoxyphenyl)butan-2-amine?
1-(2-phenoxyphenyl)butan-2-amine has a molecular weight of 241.33 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyphenyl)butan-2-amine is sourced from PubChem (CID 63803280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).