2-chloro-4,5-dimethoxy-N-propylaniline

C11H16ClNO2 — CID 43712569

IUPAC2-chloro-4,5-dimethoxy-N-propylaniline
SMILESCCCNc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C11H16ClNO2/c1-4-5-13-9-7-11(15-3)10(14-2)6-8(9)12/h6-7,13H,4-5H2,1-3H3
InChIKeySQCFJDCAOAEXDH-UHFFFAOYSA-N
MW229.71 g/mol
LogP3.18
Rot. Bonds5

About 2-chloro-4,5-dimethoxy-N-propylaniline

2-chloro-4,5-dimethoxy-N-propylaniline (PubChem CID 43712569) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-chloro-4,5-dimethoxy-N-propylaniline.

Molecular Properties

Compound Name2-chloro-4,5-dimethoxy-N-propylaniline
PubChem CID43712569
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-chloro-4,5-dimethoxy-N-propylaniline
SMILESCCCNc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C11H16ClNO2/c1-4-5-13-9-7-11(15-3)10(14-2)6-8(9)12/h6-7,13H,4-5H2,1-3H3
InChIKeySQCFJDCAOAEXDH-UHFFFAOYSA-N
XLogP3.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-chloro-2-methoxy-4-(propylamino)benzoate
CID 18322280
2,5-dichloro-N-(2-chloroethyl)-4-methoxyaniline
CID 115214609
4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline
CID 106451234
2,5-dimethoxy-1-N-propylbenzene-1,4-diamine
CID 610932
1-[4,5-dimethoxy-2-(propylamino)phenyl]ethanone
CID 67560086
6-chloro-7-methoxy-2-methyl-N-propylquinolin-4-amine
CID 107623108
4,5-dimethoxy-2-nitro-N-propylaniline
CID 83008389
2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-4,5-dimethoxyaniline
CID 103944246
4-chloro-2,5-dimethoxy-N-(2-propylsulfonylethyl)aniline
CID 106722958
N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28572779
2-chloro-4,5-dimethoxy-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43712372
N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82093412

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-dimethoxy-N-propylaniline?
The IUPAC name of 2-chloro-4,5-dimethoxy-N-propylaniline (CID 43712569) is 2-chloro-4,5-dimethoxy-N-propylaniline.
What is the SMILES notation for 2-chloro-4,5-dimethoxy-N-propylaniline?
The canonical SMILES for 2-chloro-4,5-dimethoxy-N-propylaniline is CCCNc1cc(OC)c(OC)cc1Cl.
What is the InChIKey of 2-chloro-4,5-dimethoxy-N-propylaniline?
The InChIKey is SQCFJDCAOAEXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-4-5-13-9-7-11(15-3)10(14-2)6-8(9)12/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 2-chloro-4,5-dimethoxy-N-propylaniline?
2-chloro-4,5-dimethoxy-N-propylaniline has a molecular weight of 229.71 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-dimethoxy-N-propylaniline is sourced from PubChem (CID 43712569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).