1-(4-methylphenoxy)-3-phenylpropan-2-amine

C16H19NO — CID 117241547

IUPAC1-(4-methylphenoxy)-3-phenylpropan-2-amine
SMILESCc1ccc(OCC(N)Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-13-7-9-16(10-8-13)18-12-15(17)11-14-5-3-2-4-6-14/h2-10,15H,11-12,17H2,1H3
InChIKeyYZHODZVKJQFDJF-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.94
Rot. Bonds5

About 1-(4-methylphenoxy)-3-phenylpropan-2-amine

1-(4-methylphenoxy)-3-phenylpropan-2-amine (PubChem CID 117241547) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(4-methylphenoxy)-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(4-methylphenoxy)-3-phenylpropan-2-amine
PubChem CID117241547
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(4-methylphenoxy)-3-phenylpropan-2-amine
SMILESCc1ccc(OCC(N)Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-13-7-9-16(10-8-13)18-12-15(17)11-14-5-3-2-4-6-14/h2-10,15H,11-12,17H2,1H3
InChIKeyYZHODZVKJQFDJF-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine
CID 14796882
1-(4-methylphenyl)-5-phenoxypentan-2-amine
CID 62936792
1-(3-chlorophenyl)-3-phenoxypropan-2-amine
CID 55103537
3-(2-amino-3-phenylpropoxy)benzonitrile
CID 131879625
1-(4-phenylphenoxy)butan-2-amine
CID 62039154
4-(4-methylphenyl)-1-phenylbutan-2-amine
CID 55084075
1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60906849
1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine
CID 105101373
(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine
CID 39109844
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
1-phenyl-3-phenylmethoxypropan-2-amine
CID 12815227
(2-amino-3-phenylpropoxy)carbonylazanium
CID 152772339

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenoxy)-3-phenylpropan-2-amine?
The IUPAC name of 1-(4-methylphenoxy)-3-phenylpropan-2-amine (CID 117241547) is 1-(4-methylphenoxy)-3-phenylpropan-2-amine.
What is the SMILES notation for 1-(4-methylphenoxy)-3-phenylpropan-2-amine?
The canonical SMILES for 1-(4-methylphenoxy)-3-phenylpropan-2-amine is Cc1ccc(OCC(N)Cc2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenoxy)-3-phenylpropan-2-amine?
The InChIKey is YZHODZVKJQFDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13-7-9-16(10-8-13)18-12-15(17)11-14-5-3-2-4-6-14/h2-10,15H,11-12,17H2,1H3.
What are the key properties of 1-(4-methylphenoxy)-3-phenylpropan-2-amine?
1-(4-methylphenoxy)-3-phenylpropan-2-amine has a molecular weight of 241.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenoxy)-3-phenylpropan-2-amine is sourced from PubChem (CID 117241547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).