5-chloro-2,4-dimethoxy-N-[2-(3-methylbutoxy)ethyl]aniline

C15H24ClNO3 — CID 61483778

IUPAC5-chloro-2,4-dimethoxy-N-[2-(3-methylbutoxy)ethyl]aniline
SMILESCOc1cc(OC)c(NCCOCCC(C)C)cc1Cl
InChIInChI=1S/C15H24ClNO3/c1-11(2)5-7-20-8-6-17-13-9-12(16)14(18-3)10-15(13)19-4/h9-11,17H,5-8H2,1-4H3
InChIKeyLTAVXIXWNVVMRW-UHFFFAOYSA-N
MW301.81 g/mol
LogP3.83
Rot. Bonds9

About 5-chloro-2,4-dimethoxy-N-[2-(3-methylbutoxy)ethyl]aniline

5-chloro-2,4-dimethoxy-N-[2-(3-methylbutoxy)ethyl]aniline (PubChem CID 61483778) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 5-chloro-2,4-dimethoxy-N-[2-(3-methylbutoxy)ethyl]aniline.

Molecular Properties

Compound Name5-chloro-2,4-dimethoxy-N-[2-(3-methylbutoxy)ethyl]aniline
PubChem CID61483778
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name5-chloro-2,4-dimethoxy-N-[2-(3-methylbutoxy)ethyl]aniline
SMILESCOc1cc(OC)c(NCCOCCC(C)C)cc1Cl
InChIInChI=1S/C15H24ClNO3/c1-11(2)5-7-20-8-6-17-13-9-12(16)14(18-3)10-15(13)19-4/h9-11,17H,5-8H2,1-4H3
InChIKeyLTAVXIXWNVVMRW-UHFFFAOYSA-N
XLogP3.83
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline
CID 43387887
4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline
CID 106451234
ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate
CID 103233182
5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline
CID 43095051
N-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine
CID 28576071
3-(5-chloro-2,4-dimethoxyanilino)-2-methylpropan-1-ol
CID 113343821
3,4-dichloro-N-[2-(3-methylbutoxy)ethyl]aniline
CID 63490012
3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine
CID 79839685
5-chloro-2-methoxy-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451352
4-chloro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
CID 113315721
5-chloro-2-methyl-N-[2-(3-methylbutoxy)ethyl]-4-nitroaniline
CID 115555843
4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline
CID 43387882

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-dimethoxy-N-[2-(3-methylbutoxy)ethyl]aniline?
The IUPAC name of 5-chloro-2,4-dimethoxy-N-[2-(3-methylbutoxy)ethyl]aniline (CID 61483778) is 5-chloro-2,4-dimethoxy-N-[2-(3-methylbutoxy)ethyl]aniline.
What is the SMILES notation for 5-chloro-2,4-dimethoxy-N-[2-(3-methylbutoxy)ethyl]aniline?
The canonical SMILES for 5-chloro-2,4-dimethoxy-N-[2-(3-methylbutoxy)ethyl]aniline is COc1cc(OC)c(NCCOCCC(C)C)cc1Cl.
What is the InChIKey of 5-chloro-2,4-dimethoxy-N-[2-(3-methylbutoxy)ethyl]aniline?
The InChIKey is LTAVXIXWNVVMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3/c1-11(2)5-7-20-8-6-17-13-9-12(16)14(18-3)10-15(13)19-4/h9-11,17H,5-8H2,1-4H3.
What are the key properties of 5-chloro-2,4-dimethoxy-N-[2-(3-methylbutoxy)ethyl]aniline?
5-chloro-2,4-dimethoxy-N-[2-(3-methylbutoxy)ethyl]aniline has a molecular weight of 301.81 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-dimethoxy-N-[2-(3-methylbutoxy)ethyl]aniline is sourced from PubChem (CID 61483778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).