1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine

C16H26ClNO2 — CID 43492728

IUPAC1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)C(NCC)c1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C16H26ClNO2/c1-6-8-11(3)16(18-7-2)12-9-14(19-4)15(20-5)10-13(12)17/h9-11,16,18H,6-8H2,1-5H3
InChIKeyHORXTDBUEHXCGF-UHFFFAOYSA-N
MW299.84 g/mol
LogP4.44
Rot. Bonds8

About 1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine

1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine (PubChem CID 43492728) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine
PubChem CID43492728
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)C(NCC)c1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C16H26ClNO2/c1-6-8-11(3)16(18-7-2)12-9-14(19-4)15(20-5)10-13(12)17/h9-11,16,18H,6-8H2,1-5H3
InChIKeyHORXTDBUEHXCGF-UHFFFAOYSA-N
XLogP4.44
TPSA30.49 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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43492723
1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 104545976
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43562095
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-ethyl-2-methylpentan-1-amine
CID 43492696
N-[(2-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43492710
2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-ethylpropan-1-amine
CID 83155291
1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43562163
1-(2-chlorofuran-3-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893430
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine
CID 82983938
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874372
N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine
CID 62865686

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine?
The IUPAC name of 1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine (CID 43492728) is 1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine.
What is the SMILES notation for 1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine?
The canonical SMILES for 1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine is CCCC(C)C(NCC)c1cc(OC)c(OC)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine?
The InChIKey is HORXTDBUEHXCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-6-8-11(3)16(18-7-2)12-9-14(19-4)15(20-5)10-13(12)17/h9-11,16,18H,6-8H2,1-5H3.
What are the key properties of 1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine?
1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine has a molecular weight of 299.84 g/mol, XLogP of 4.44, 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-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine is sourced from PubChem (CID 43492728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).