4-(5-ethoxy-2-propan-2-ylphenyl)-3-phenylpentan-1-amine

C22H31NO — CID 57105695

IUPAC4-(5-ethoxy-2-propan-2-ylphenyl)-3-phenylpentan-1-amine
SMILESCCOc1ccc(C(C)C)c(C(C)C(CCN)c2ccccc2)c1
InChIInChI=1S/C22H31NO/c1-5-24-19-11-12-20(16(2)3)22(15-19)17(4)21(13-14-23)18-9-7-6-8-10-18/h6-12,15-17,21H,5,13-14,23H2,1-4H3
InChIKeyJNDJYBCGLPMEEF-UHFFFAOYSA-N
MW325.50 g/mol
LogP5.44
Rot. Bonds8

About 4-(5-ethoxy-2-propan-2-ylphenyl)-3-phenylpentan-1-amine

4-(5-ethoxy-2-propan-2-ylphenyl)-3-phenylpentan-1-amine (PubChem CID 57105695) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is 4-(5-ethoxy-2-propan-2-ylphenyl)-3-phenylpentan-1-amine.

Molecular Properties

Compound Name4-(5-ethoxy-2-propan-2-ylphenyl)-3-phenylpentan-1-amine
PubChem CID57105695
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name4-(5-ethoxy-2-propan-2-ylphenyl)-3-phenylpentan-1-amine
SMILESCCOc1ccc(C(C)C)c(C(C)C(CCN)c2ccccc2)c1
InChIInChI=1S/C22H31NO/c1-5-24-19-11-12-20(16(2)3)22(15-19)17(4)21(13-14-23)18-9-7-6-8-10-18/h6-12,15-17,21H,5,13-14,23H2,1-4H3
InChIKeyJNDJYBCGLPMEEF-UHFFFAOYSA-N
XLogP5.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(4-ethylphenyl)-3-phenylpentan-1-amine
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[(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride
CID 121438268
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598
1,4-diethoxy-2-propan-2-ylbenzene
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3-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 81010324
5-ethoxy-1,2,3-tris(1-phenylethyl)benzene
CID 135291226
1-ethoxy-4-(2-methyl-1-phenylpropyl)benzene
CID 58493580
(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171200689
4-ethoxy-2-methoxy-1-propan-2-ylbenzene
CID 176811601

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethoxy-2-propan-2-ylphenyl)-3-phenylpentan-1-amine?
The IUPAC name of 4-(5-ethoxy-2-propan-2-ylphenyl)-3-phenylpentan-1-amine (CID 57105695) is 4-(5-ethoxy-2-propan-2-ylphenyl)-3-phenylpentan-1-amine.
What is the SMILES notation for 4-(5-ethoxy-2-propan-2-ylphenyl)-3-phenylpentan-1-amine?
The canonical SMILES for 4-(5-ethoxy-2-propan-2-ylphenyl)-3-phenylpentan-1-amine is CCOc1ccc(C(C)C)c(C(C)C(CCN)c2ccccc2)c1.
What is the InChIKey of 4-(5-ethoxy-2-propan-2-ylphenyl)-3-phenylpentan-1-amine?
The InChIKey is JNDJYBCGLPMEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-5-24-19-11-12-20(16(2)3)22(15-19)17(4)21(13-14-23)18-9-7-6-8-10-18/h6-12,15-17,21H,5,13-14,23H2,1-4H3.
What are the key properties of 4-(5-ethoxy-2-propan-2-ylphenyl)-3-phenylpentan-1-amine?
4-(5-ethoxy-2-propan-2-ylphenyl)-3-phenylpentan-1-amine has a molecular weight of 325.50 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethoxy-2-propan-2-ylphenyl)-3-phenylpentan-1-amine is sourced from PubChem (CID 57105695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).