1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

C17H26ClNO2 — CID 66476105

IUPAC1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCNC(c1cc(OC)c(OC)cc1Cl)C1C(C)(C)C1(C)C
InChIInChI=1S/C17H26ClNO2/c1-16(2)15(17(16,3)4)14(19-5)10-8-12(20-6)13(21-7)9-11(10)18/h8-9,14-15,19H,1-7H3
InChIKeyVAQOHNULYUKKPE-UHFFFAOYSA-N
MW311.85 g/mol
LogP4.30
Rot. Bonds5

About 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 66476105) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID66476105
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCNC(c1cc(OC)c(OC)cc1Cl)C1C(C)(C)C1(C)C
InChIInChI=1S/C17H26ClNO2/c1-16(2)15(17(16,3)4)14(19-5)10-8-12(20-6)13(21-7)9-11(10)18/h8-9,14-15,19H,1-7H3
InChIKeyVAQOHNULYUKKPE-UHFFFAOYSA-N
XLogP4.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine
CID 43486339
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66476106
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66475724
N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 104990570
1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66476681
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43486373
[(4-chloro-3-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105320846
1-[bromo-(2,2-dimethylcyclopropyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107002722
1-(2-chloro-4,5-dimethoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43486364
N-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66477445
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43486329
N-[(2-chloro-4,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 115484202

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 66476105) is 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is CNC(c1cc(OC)c(OC)cc1Cl)C1C(C)(C)C1(C)C.
What is the InChIKey of 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is VAQOHNULYUKKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-16(2)15(17(16,3)4)14(19-5)10-8-12(20-6)13(21-7)9-11(10)18/h8-9,14-15,19H,1-7H3.
What are the key properties of 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 311.85 g/mol, XLogP of 4.30, 5 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-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 66476105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).