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

C16H19NO — CID 18069726

IUPAC2-(4-methylphenoxy)-1-phenylpropan-1-amine
SMILESCc1ccc(OC(C)C(N)c2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-12-8-10-15(11-9-12)18-13(2)16(17)14-6-4-3-5-7-14/h3-11,13,16H,17H2,1-2H3
InChIKeyHMJKKTABAGSOKU-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.46
Rot. Bonds4

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

2-(4-methylphenoxy)-1-phenylpropan-1-amine (PubChem CID 18069726) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(4-methylphenoxy)-1-phenylpropan-1-amine
PubChem CID18069726
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-(4-methylphenoxy)-1-phenylpropan-1-amine
SMILESCc1ccc(OC(C)C(N)c2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-12-8-10-15(11-9-12)18-13(2)16(17)14-6-4-3-5-7-14/h3-11,13,16H,17H2,1-2H3
InChIKeyHMJKKTABAGSOKU-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-phenoxypropan-1-amine
CID 16782575
2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine
CID 105092349
2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine
CID 63986561
1-phenylethanamine;toluene
CID 143029898
ethyl 2-(4-methylphenoxy)-2-phenylacetate
CID 103601098
1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095
N-(2-amino-2-phenylethyl)-2-(4-methylphenoxy)propanamide
CID 119528615
2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine
CID 63491990
N-[1-(4-methylphenoxy)ethyl]aniline
CID 154338063
2-phenoxy-1-phenylbutan-1-amine
CID 43211594
1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine
CID 55019897
2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine
CID 105097009

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-1-phenylpropan-1-amine?
The IUPAC name of 2-(4-methylphenoxy)-1-phenylpropan-1-amine (CID 18069726) is 2-(4-methylphenoxy)-1-phenylpropan-1-amine.
What is the SMILES notation for 2-(4-methylphenoxy)-1-phenylpropan-1-amine?
The canonical SMILES for 2-(4-methylphenoxy)-1-phenylpropan-1-amine is Cc1ccc(OC(C)C(N)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-1-phenylpropan-1-amine?
The InChIKey is HMJKKTABAGSOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-8-10-15(11-9-12)18-13(2)16(17)14-6-4-3-5-7-14/h3-11,13,16H,17H2,1-2H3.
What are the key properties of 2-(4-methylphenoxy)-1-phenylpropan-1-amine?
2-(4-methylphenoxy)-1-phenylpropan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-1-phenylpropan-1-amine is sourced from PubChem (CID 18069726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).