3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine

C20H26ClNO2 — CID 112538807

IUPAC3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
SMILESCCOc1c(Cl)cc(CC(CN)c2cc(C)ccc2C)cc1OC
InChIInChI=1S/C20H26ClNO2/c1-5-24-20-18(21)10-15(11-19(20)23-4)9-16(12-22)17-8-13(2)6-7-14(17)3/h6-8,10-11,16H,5,9,12,22H2,1-4H3
InChIKeyCUVNVYJCNMJVBD-UHFFFAOYSA-N
MW347.89 g/mol
LogP4.65
Rot. Bonds7

About 3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine

3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine (PubChem CID 112538807) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
PubChem CID112538807
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC Name3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
SMILESCCOc1c(Cl)cc(CC(CN)c2cc(C)ccc2C)cc1OC
InChIInChI=1S/C20H26ClNO2/c1-5-24-20-18(21)10-15(11-19(20)23-4)9-16(12-22)17-8-13(2)6-7-14(17)3/h6-8,10-11,16H,5,9,12,22H2,1-4H3
InChIKeyCUVNVYJCNMJVBD-UHFFFAOYSA-N
XLogP4.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxy-3-methoxyphenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974529
3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974597
3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine
CID 83975945
2-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-thiophen-2-ylethanamine
CID 21156725
3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974913
3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
CID 83972953
3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 82139605
3-(3-chlorophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974508
3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977408
2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-1-amine
CID 82138492
2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83974613
3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine
CID 83976420

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine?
The IUPAC name of 3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine (CID 112538807) is 3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine is CCOc1c(Cl)cc(CC(CN)c2cc(C)ccc2C)cc1OC.
What is the InChIKey of 3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine?
The InChIKey is CUVNVYJCNMJVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO2/c1-5-24-20-18(21)10-15(11-19(20)23-4)9-16(12-22)17-8-13(2)6-7-14(17)3/h6-8,10-11,16H,5,9,12,22H2,1-4H3.
What are the key properties of 3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine?
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine has a molecular weight of 347.89 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 112538807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).