1-(2,5-dichloro-4-ethoxyphenyl)-3-methylpentan-1-amine

C14H21Cl2NO — CID 114874589

IUPAC1-(2,5-dichloro-4-ethoxyphenyl)-3-methylpentan-1-amine
SMILESCCOc1cc(Cl)c(C(N)CC(C)CC)cc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-4-9(3)6-13(17)10-7-12(16)14(18-5-2)8-11(10)15/h7-9,13H,4-6,17H2,1-3H3
InChIKeyIFXKQFGSUVIUDH-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.83
Rot. Bonds6

About 1-(2,5-dichloro-4-ethoxyphenyl)-3-methylpentan-1-amine

1-(2,5-dichloro-4-ethoxyphenyl)-3-methylpentan-1-amine (PubChem CID 114874589) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-ethoxyphenyl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichloro-4-ethoxyphenyl)-3-methylpentan-1-amine
PubChem CID114874589
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name1-(2,5-dichloro-4-ethoxyphenyl)-3-methylpentan-1-amine
SMILESCCOc1cc(Cl)c(C(N)CC(C)CC)cc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-4-9(3)6-13(17)10-7-12(16)14(18-5-2)8-11(10)15/h7-9,13H,4-6,17H2,1-3H3
InChIKeyIFXKQFGSUVIUDH-UHFFFAOYSA-N
XLogP4.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-2-(1-chloro-3-methylpentyl)-4,5-diethoxybenzene
CID 114876048
1-(3-bromo-4-ethoxyphenyl)-3-methylpentan-1-amine
CID 114874622
1-(2-ethoxyphenyl)-3-methylpentan-1-amine
CID 115533625
1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene
CID 103514645
1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine
CID 114874213
(2,5-dichloro-4-ethoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107178137
1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol
CID 82268035
2-[2-(5-chloro-2,4-diethoxyphenyl)butyl]propane-1,3-diamine
CID 83943408
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
1-(2-chloro-4,5-diethoxyphenyl)-2-methylpentan-1-amine
CID 43330620
1-(5-chloro-4-ethoxy-2-methylphenyl)-2,2,2-trifluoroethanamine
CID 82304919

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-ethoxyphenyl)-3-methylpentan-1-amine?
The IUPAC name of 1-(2,5-dichloro-4-ethoxyphenyl)-3-methylpentan-1-amine (CID 114874589) is 1-(2,5-dichloro-4-ethoxyphenyl)-3-methylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dichloro-4-ethoxyphenyl)-3-methylpentan-1-amine?
The canonical SMILES for 1-(2,5-dichloro-4-ethoxyphenyl)-3-methylpentan-1-amine is CCOc1cc(Cl)c(C(N)CC(C)CC)cc1Cl.
What is the InChIKey of 1-(2,5-dichloro-4-ethoxyphenyl)-3-methylpentan-1-amine?
The InChIKey is IFXKQFGSUVIUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-4-9(3)6-13(17)10-7-12(16)14(18-5-2)8-11(10)15/h7-9,13H,4-6,17H2,1-3H3.
What are the key properties of 1-(2,5-dichloro-4-ethoxyphenyl)-3-methylpentan-1-amine?
1-(2,5-dichloro-4-ethoxyphenyl)-3-methylpentan-1-amine has a molecular weight of 290.23 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-ethoxyphenyl)-3-methylpentan-1-amine is sourced from PubChem (CID 114874589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).