1-(2-chloro-4,5-diethoxyphenyl)-2-methylpentan-1-amine

C16H26ClNO2 — CID 43330620

IUPAC1-(2-chloro-4,5-diethoxyphenyl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)c1cc(OCC)c(OCC)cc1Cl
InChIInChI=1S/C16H26ClNO2/c1-5-8-11(4)16(18)12-9-14(19-6-2)15(20-7-3)10-13(12)17/h9-11,16H,5-8,18H2,1-4H3
InChIKeyOKLMFDILULKZPN-UHFFFAOYSA-N
MW299.84 g/mol
LogP4.57
Rot. Bonds8

About 1-(2-chloro-4,5-diethoxyphenyl)-2-methylpentan-1-amine

1-(2-chloro-4,5-diethoxyphenyl)-2-methylpentan-1-amine (PubChem CID 43330620) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 1-(2-chloro-4,5-diethoxyphenyl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4,5-diethoxyphenyl)-2-methylpentan-1-amine
PubChem CID43330620
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name1-(2-chloro-4,5-diethoxyphenyl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)c1cc(OCC)c(OCC)cc1Cl
InChIInChI=1S/C16H26ClNO2/c1-5-8-11(4)16(18)12-9-14(19-6-2)15(20-7-3)10-13(12)17/h9-11,16H,5-8,18H2,1-4H3
InChIKeyOKLMFDILULKZPN-UHFFFAOYSA-N
XLogP4.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)-2-methylpentan-1-amine
CID 43167292
1-(2-ethoxyphenyl)-2-methylpentan-1-amine
CID 115853638
1-chloro-2-(1-chloro-3-methylpentyl)-4,5-diethoxybenzene
CID 114876048
1-(3-chloro-4-ethoxyphenyl)-2-methylbutane-1,4-diamine
CID 116934028
(2-chloro-4,5-diethoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107000928
(2-chloro-4,5-diethoxyphenyl)-(4-methylthiophen-3-yl)methanamine
CID 79810158
1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43492728
3-(2-chloro-4,5-diethoxyphenyl)butanoic acid
CID 83959381
1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine
CID 83943404
1-(2,5-dichloro-4-ethoxyphenyl)-3-methylpentan-1-amine
CID 114874589
1-(4-chloro-2,5-dipropoxyphenyl)ethanamine
CID 82551629
(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanamine
CID 106851517

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-diethoxyphenyl)-2-methylpentan-1-amine?
The IUPAC name of 1-(2-chloro-4,5-diethoxyphenyl)-2-methylpentan-1-amine (CID 43330620) is 1-(2-chloro-4,5-diethoxyphenyl)-2-methylpentan-1-amine.
What is the SMILES notation for 1-(2-chloro-4,5-diethoxyphenyl)-2-methylpentan-1-amine?
The canonical SMILES for 1-(2-chloro-4,5-diethoxyphenyl)-2-methylpentan-1-amine is CCCC(C)C(N)c1cc(OCC)c(OCC)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,5-diethoxyphenyl)-2-methylpentan-1-amine?
The InChIKey is OKLMFDILULKZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-5-8-11(4)16(18)12-9-14(19-6-2)15(20-7-3)10-13(12)17/h9-11,16H,5-8,18H2,1-4H3.
What are the key properties of 1-(2-chloro-4,5-diethoxyphenyl)-2-methylpentan-1-amine?
1-(2-chloro-4,5-diethoxyphenyl)-2-methylpentan-1-amine has a molecular weight of 299.84 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-diethoxyphenyl)-2-methylpentan-1-amine is sourced from PubChem (CID 43330620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).