2-phenoxy-1-phenylbutan-1-amine

C16H19NO — CID 43211594

IUPAC2-phenoxy-1-phenylbutan-1-amine
SMILESCCC(Oc1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C16H19NO/c1-2-15(18-14-11-7-4-8-12-14)16(17)13-9-5-3-6-10-13/h3-12,15-16H,2,17H2,1H3
InChIKeyHVWZLTMYCFMVHW-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.54
Rot. Bonds5

About 2-phenoxy-1-phenylbutan-1-amine

2-phenoxy-1-phenylbutan-1-amine (PubChem CID 43211594) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-phenoxy-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-phenoxy-1-phenylbutan-1-amine
PubChem CID43211594
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-phenoxy-1-phenylbutan-1-amine
SMILESCCC(Oc1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C16H19NO/c1-2-15(18-14-11-7-4-8-12-14)16(17)13-9-5-3-6-10-13/h3-12,15-16H,2,17H2,1H3
InChIKeyHVWZLTMYCFMVHW-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-phenoxy-1-phenylbutan-1-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-phenyl-2-(3-propan-2-ylphenoxy)butan-1-amine
CID 43108212
2-methoxy-1-phenylbutan-1-amine
CID 43211581
1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine
CID 43211618
2-(2-butoxyethoxy)-1-phenylbutan-1-amine
CID 43127531
(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186
2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine
CID 159334217
[iodo(phenoxy)methyl]benzene
CID 54113161
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
2-ethoxy-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116716401
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine
CID 78960186
2-(2-cyclobutylethoxy)-1-phenylbutan-1-amine
CID 106201059
[3-methyl-1-(3-methyl-2-phenoxypentyl)sulfanylpentan-2-yl]oxybenzene
CID 151891928

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-phenylbutan-1-amine?
The IUPAC name of 2-phenoxy-1-phenylbutan-1-amine (CID 43211594) is 2-phenoxy-1-phenylbutan-1-amine.
What is the SMILES notation for 2-phenoxy-1-phenylbutan-1-amine?
The canonical SMILES for 2-phenoxy-1-phenylbutan-1-amine is CCC(Oc1ccccc1)C(N)c1ccccc1.
What is the InChIKey of 2-phenoxy-1-phenylbutan-1-amine?
The InChIKey is HVWZLTMYCFMVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-15(18-14-11-7-4-8-12-14)16(17)13-9-5-3-6-10-13/h3-12,15-16H,2,17H2,1H3.
What are the key properties of 2-phenoxy-1-phenylbutan-1-amine?
2-phenoxy-1-phenylbutan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-phenylbutan-1-amine is sourced from PubChem (CID 43211594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).