1-(5-chloro-2-methoxyphenyl)-3-ethoxy-4-methylpentan-2-amine

C15H24ClNO2 — CID 116720793

IUPAC1-(5-chloro-2-methoxyphenyl)-3-ethoxy-4-methylpentan-2-amine
SMILESCCOC(C(C)C)C(N)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C15H24ClNO2/c1-5-19-15(10(2)3)13(17)9-11-8-12(16)6-7-14(11)18-4/h6-8,10,13,15H,5,9,17H2,1-4H3
InChIKeySPFCSWRLCIWFLT-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.28
Rot. Bonds7

About 1-(5-chloro-2-methoxyphenyl)-3-ethoxy-4-methylpentan-2-amine

1-(5-chloro-2-methoxyphenyl)-3-ethoxy-4-methylpentan-2-amine (PubChem CID 116720793) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-ethoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-ethoxy-4-methylpentan-2-amine
PubChem CID116720793
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-ethoxy-4-methylpentan-2-amine
SMILESCCOC(C(C)C)C(N)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C15H24ClNO2/c1-5-19-15(10(2)3)13(17)9-11-8-12(16)6-7-14(11)18-4/h6-8,10,13,15H,5,9,17H2,1-4H3
InChIKeySPFCSWRLCIWFLT-UHFFFAOYSA-N
XLogP3.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine
CID 63561705
1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine
CID 114221939
1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131585
1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 79495090
2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115845008
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol
CID 63562020
1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63891932
3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 62916009
4-chloro-2-(4-chloro-2-methylpentyl)-1-methoxybenzene
CID 64719241
1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334
1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol
CID 114270657

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-ethoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-ethoxy-4-methylpentan-2-amine (CID 116720793) is 1-(5-chloro-2-methoxyphenyl)-3-ethoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-ethoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-ethoxy-4-methylpentan-2-amine is CCOC(C(C)C)C(N)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-ethoxy-4-methylpentan-2-amine?
The InChIKey is SPFCSWRLCIWFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-5-19-15(10(2)3)13(17)9-11-8-12(16)6-7-14(11)18-4/h6-8,10,13,15H,5,9,17H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-ethoxy-4-methylpentan-2-amine?
1-(5-chloro-2-methoxyphenyl)-3-ethoxy-4-methylpentan-2-amine has a molecular weight of 285.81 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-ethoxy-4-methylpentan-2-amine is sourced from PubChem (CID 116720793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).