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

C14H22ClNO2 — CID 65305689

IUPAC4-(2-chloro-4,5-dimethoxyphenyl)-N-ethylbutan-1-amine
SMILESCCNCCCCc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C14H22ClNO2/c1-4-16-8-6-5-7-11-9-13(17-2)14(18-3)10-12(11)15/h9-10,16H,4-8H2,1-3H3
InChIKeyARDJRZXVGTUMER-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.29
Rot. Bonds8

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

4-(2-chloro-4,5-dimethoxyphenyl)-N-ethylbutan-1-amine (PubChem CID 65305689) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 4-(2-chloro-4,5-dimethoxyphenyl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name4-(2-chloro-4,5-dimethoxyphenyl)-N-ethylbutan-1-amine
PubChem CID65305689
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name4-(2-chloro-4,5-dimethoxyphenyl)-N-ethylbutan-1-amine
SMILESCCNCCCCc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C14H22ClNO2/c1-4-16-8-6-5-7-11-9-13(17-2)14(18-3)10-12(11)15/h9-10,16H,4-8H2,1-3H3
InChIKeyARDJRZXVGTUMER-UHFFFAOYSA-N
XLogP3.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloro-4,5-dimethoxyphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65305744
6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine
CID 104544671
N-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine
CID 143866494
4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 113319723
N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]pentan-1-amine
CID 66530852
5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine
CID 70956835
5-(4-chloro-2,5-dimethylphenyl)-N-ethylpentan-1-amine
CID 65305563
5-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-ethylpentan-1-amine
CID 65305381
N-[2-[2-(2-chloro-4,5-dimethoxyphenyl)ethoxy]ethyl]-2-methoxyethanamine
CID 65303519
N-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 66530902
N-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 65303375
3-(2-chloro-4,5-dimethoxyphenyl)propyl thiocyanate
CID 112719690

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4,5-dimethoxyphenyl)-N-ethylbutan-1-amine?
The IUPAC name of 4-(2-chloro-4,5-dimethoxyphenyl)-N-ethylbutan-1-amine (CID 65305689) is 4-(2-chloro-4,5-dimethoxyphenyl)-N-ethylbutan-1-amine.
What is the SMILES notation for 4-(2-chloro-4,5-dimethoxyphenyl)-N-ethylbutan-1-amine?
The canonical SMILES for 4-(2-chloro-4,5-dimethoxyphenyl)-N-ethylbutan-1-amine is CCNCCCCc1cc(OC)c(OC)cc1Cl.
What is the InChIKey of 4-(2-chloro-4,5-dimethoxyphenyl)-N-ethylbutan-1-amine?
The InChIKey is ARDJRZXVGTUMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-4-16-8-6-5-7-11-9-13(17-2)14(18-3)10-12(11)15/h9-10,16H,4-8H2,1-3H3.
What are the key properties of 4-(2-chloro-4,5-dimethoxyphenyl)-N-ethylbutan-1-amine?
4-(2-chloro-4,5-dimethoxyphenyl)-N-ethylbutan-1-amine has a molecular weight of 271.79 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4,5-dimethoxyphenyl)-N-ethylbutan-1-amine is sourced from PubChem (CID 65305689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).