1-(2-chlorophenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine

C13H18ClNO — CID 116722168

IUPAC1-(2-chlorophenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine
SMILESCNC(c1ccccc1Cl)C(OC)C1CC1
InChIInChI=1S/C13H18ClNO/c1-15-12(13(16-2)9-7-8-9)10-5-3-4-6-11(10)14/h3-6,9,12-13,15H,7-8H2,1-2H3
InChIKeyVFOZDWKREIVNFM-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.03
Rot. Bonds5

About 1-(2-chlorophenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine

1-(2-chlorophenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine (PubChem CID 116722168) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine
PubChem CID116722168
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-(2-chlorophenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine
SMILESCNC(c1ccccc1Cl)C(OC)C1CC1
InChIInChI=1S/C13H18ClNO/c1-15-12(13(16-2)9-7-8-9)10-5-3-4-6-11(10)14/h3-6,9,12-13,15H,7-8H2,1-2H3
InChIKeyVFOZDWKREIVNFM-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine
CID 116722171
2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxy-N-methylethanamine
CID 116771448
[2-cyclopropyl-2-methoxy-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105272624
[2-cyclopropyl-2-methoxy-1-(2-methylphenyl)ethyl]hydrazine
CID 105272618
2-cyclopropyl-1-(furan-3-yl)-2-methoxy-N-methylethanamine
CID 116722206
2-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methoxy-N-methylethanamine
CID 116771486
2-cyclopropyl-2-methoxy-N-methyl-1-thiophen-3-ylethanamine
CID 116722222
2-cyclohexyl-2-methoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 116771562
2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine
CID 116722271
2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116722194
2-cyclohexyl-2-methoxy-1-(4-methoxy-2-methylphenyl)-N-methylethanamine
CID 116771624
N-(2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethyl)propan-1-amine
CID 116722797

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine?
The IUPAC name of 1-(2-chlorophenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine (CID 116722168) is 1-(2-chlorophenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine is CNC(c1ccccc1Cl)C(OC)C1CC1.
What is the InChIKey of 1-(2-chlorophenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine?
The InChIKey is VFOZDWKREIVNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-15-12(13(16-2)9-7-8-9)10-5-3-4-6-11(10)14/h3-6,9,12-13,15H,7-8H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine?
1-(2-chlorophenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine has a molecular weight of 239.75 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine is sourced from PubChem (CID 116722168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).