2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine

C22H23NO — CID 82160286

IUPAC2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
SMILESCc1ccc(C(CN)Cc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C22H23NO/c1-17-10-12-19(13-11-17)20(16-23)14-18-6-5-9-22(15-18)24-21-7-3-2-4-8-21/h2-13,15,20H,14,16,23H2,1H3
InChIKeyPGHDWPRILYAONY-UHFFFAOYSA-N
MW317.43 g/mol
LogP5.07
Rot. Bonds6

About 2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine

2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine (PubChem CID 82160286) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
PubChem CID82160286
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
SMILESCc1ccc(C(CN)Cc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C22H23NO/c1-17-10-12-19(13-11-17)20(16-23)14-18-6-5-9-22(15-18)24-21-7-3-2-4-8-21/h2-13,15,20H,14,16,23H2,1H3
InChIKeyPGHDWPRILYAONY-UHFFFAOYSA-N
XLogP5.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 83972725
3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973436
2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 83973683
3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 112538857
1-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-ol
CID 82185660
2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
CID 82160336
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 82929801
diethyl 2-[(3-phenoxyphenyl)methyl]propanedioate
CID 10569299
3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973441
1-(2-methylbutyl)-3-phenoxybenzene
CID 54097168
3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine
CID 83973248

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine?
The IUPAC name of 2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine (CID 82160286) is 2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine is Cc1ccc(C(CN)Cc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine?
The InChIKey is PGHDWPRILYAONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-17-10-12-19(13-11-17)20(16-23)14-18-6-5-9-22(15-18)24-21-7-3-2-4-8-21/h2-13,15,20H,14,16,23H2,1H3.
What are the key properties of 2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine?
2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine has a molecular weight of 317.43 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine is sourced from PubChem (CID 82160286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).