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

C14H22ClNO2 — CID 43492723

IUPAC1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cc(OC)c(OC)cc1Cl)C(C)C
InChIInChI=1S/C14H22ClNO2/c1-6-16-14(9(2)3)10-7-12(17-4)13(18-5)8-11(10)15/h7-9,14,16H,6H2,1-5H3
InChIKeyZFKBWMYVVMTABX-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.66
Rot. Bonds6

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

1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 43492723) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
PubChem CID43492723
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cc(OC)c(OC)cc1Cl)C(C)C
InChIInChI=1S/C14H22ClNO2/c1-6-16-14(9(2)3)10-7-12(17-4)13(18-5)8-11(10)15/h7-9,14,16H,6H2,1-5H3
InChIKeyZFKBWMYVVMTABX-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43492728
N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine
CID 62865686
2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-ethylpropan-1-amine
CID 83155291
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
N-[(2-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43492710
1-(2-chloro-4,5-dimethylphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 113319465
1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine
CID 43486339
1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874372
1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616949
2-chloro-4,5-dimethoxy-N-(3-methylbutan-2-yl)aniline
CID 43712475
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine (CID 43492723) is 1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine is CCNC(c1cc(OC)c(OC)cc1Cl)C(C)C.
What is the InChIKey of 1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is ZFKBWMYVVMTABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-6-16-14(9(2)3)10-7-12(17-4)13(18-5)8-11(10)15/h7-9,14,16H,6H2,1-5H3.
What are the key properties of 1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine?
1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 271.79 g/mol, XLogP of 3.66, 6 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-methylpropan-1-amine is sourced from PubChem (CID 43492723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).