3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine

C22H31NO2 — CID 83972849

IUPAC3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
SMILESCCCCOc1cc(CC(CN)c2ccc(C)cc2C)ccc1OC
InChIInChI=1S/C22H31NO2/c1-5-6-11-25-22-14-18(8-10-21(22)24-4)13-19(15-23)20-9-7-16(2)12-17(20)3/h7-10,12,14,19H,5-6,11,13,15,23H2,1-4H3
InChIKeyBQHYHIKBPUKKSX-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.78
Rot. Bonds9

About 3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine

3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine (PubChem CID 83972849) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
PubChem CID83972849
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
SMILESCCCCOc1cc(CC(CN)c2ccc(C)cc2C)ccc1OC
InChIInChI=1S/C22H31NO2/c1-5-6-11-25-22-14-18(8-10-21(22)24-4)13-19(15-23)20-9-7-16(2)12-17(20)3/h7-10,12,14,19H,5-6,11,13,15,23H2,1-4H3
InChIKeyBQHYHIKBPUKKSX-UHFFFAOYSA-N
XLogP4.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 83972845
3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
CID 83974356
3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 112538798
3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974597
3-(4-butoxyphenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974227
2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83977047
3-(4-ethoxy-3-methoxyphenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974529
2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83974613
3-(3-butoxy-4-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine
CID 112539221
2-(4-methoxy-2-methylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)propan-1-amine
CID 83974204
4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol
CID 83974199
2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 83972858

Frequently Asked Questions

What is the IUPAC name of 3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine?
The IUPAC name of 3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine (CID 83972849) is 3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine is CCCCOc1cc(CC(CN)c2ccc(C)cc2C)ccc1OC.
What is the InChIKey of 3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine?
The InChIKey is BQHYHIKBPUKKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-5-6-11-25-22-14-18(8-10-21(22)24-4)13-19(15-23)20-9-7-16(2)12-17(20)3/h7-10,12,14,19H,5-6,11,13,15,23H2,1-4H3.
What are the key properties of 3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine?
3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine has a molecular weight of 341.50 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 83972849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).