2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine

C17H26ClNO2 — CID 79342185

IUPAC2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
SMILESCCCNCC(=Cc1ccc(OC)c(OC)c1Cl)C(C)C
InChIInChI=1S/C17H26ClNO2/c1-6-9-19-11-14(12(2)3)10-13-7-8-15(20-4)17(21-5)16(13)18/h7-8,10,12,19H,6,9,11H2,1-5H3
InChIKeyGXIOZLDPTLYXTK-UHFFFAOYSA-N
MW311.85 g/mol
LogP4.40
Rot. Bonds8

About 2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine

2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine (PubChem CID 79342185) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
PubChem CID79342185
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
SMILESCCCNCC(=Cc1ccc(OC)c(OC)c1Cl)C(C)C
InChIInChI=1S/C17H26ClNO2/c1-6-9-19-11-14(12(2)3)10-13-7-8-15(20-4)17(21-5)16(13)18/h7-8,10,12,19H,6,9,11H2,1-5H3
InChIKeyGXIOZLDPTLYXTK-UHFFFAOYSA-N
XLogP4.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 79342187
2-[(5-bromo-2-propoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 79341999
2-[(2-fluorophenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 79339795
2-[(2-chloro-5-nitrophenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 79339085
(E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-ol
CID 163198757
(2E)-2-[(5-fluoro-2-methylphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 114075399
2-[(3-ethoxy-2-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
CID 79339431
N-ethyl-2-[(2-methoxynaphthalen-1-yl)methylidene]-3-methylbutan-1-amine
CID 79341734
2-chloro-1-(3-chloroprop-1-enyl)-3,4-dimethoxybenzene
CID 79335637
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-N-propylbutan-1-amine
CID 79329735
N-[[2-(2-chloro-3,4-dimethoxyphenyl)cyclopropyl]methyl]propan-1-amine
CID 63631896
1-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-3-methylbutan-2-ol
CID 115630589

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine (CID 79342185) is 2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine is CCCNCC(=Cc1ccc(OC)c(OC)c1Cl)C(C)C.
What is the InChIKey of 2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine?
The InChIKey is GXIOZLDPTLYXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-6-9-19-11-14(12(2)3)10-13-7-8-15(20-4)17(21-5)16(13)18/h7-8,10,12,19H,6,9,11H2,1-5H3.
What are the key properties of 2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine?
2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine has a molecular weight of 311.85 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 79342185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).