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

C22H23NO — CID 83973436

IUPAC3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine
SMILESCc1ccc(CC(CN)c2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C22H23NO/c1-17-10-12-18(13-11-17)14-20(16-23)19-6-5-9-22(15-19)24-21-7-3-2-4-8-21/h2-13,15,20H,14,16,23H2,1H3
InChIKeyKLSCWIAQYAPFFR-UHFFFAOYSA-N
MW317.43 g/mol
LogP5.07
Rot. Bonds6

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

3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine (PubChem CID 83973436) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine
PubChem CID83973436
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine
SMILESCc1ccc(CC(CN)c2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C22H23NO/c1-17-10-12-18(13-11-17)14-20(16-23)19-6-5-9-22(15-19)24-21-7-3-2-4-8-21/h2-13,15,20H,14,16,23H2,1H3
InChIKeyKLSCWIAQYAPFFR-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-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 82160286
3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 112538857
2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 83972725
3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973441
3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine
CID 83973248
3-(2-fluorophenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973445
2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 83973683
4-[3-amino-2-(3-methoxyphenyl)propyl]benzoic acid
CID 82139721
3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417014
2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83972609
2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 79422480
2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine
CID 83973282

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine?
The IUPAC name of 3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine (CID 83973436) is 3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine is Cc1ccc(CC(CN)c2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine?
The InChIKey is KLSCWIAQYAPFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-17-10-12-18(13-11-17)14-20(16-23)19-6-5-9-22(15-19)24-21-7-3-2-4-8-21/h2-13,15,20H,14,16,23H2,1H3.
What are the key properties of 3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine?
3-(4-methylphenyl)-2-(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 3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine is sourced from PubChem (CID 83973436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).