1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]-N-methylethanamine

C13H17Cl2N — CID 106797533

IUPAC1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]-N-methylethanamine
SMILESCNC(C)C1(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H17Cl2N/c1-9(16-2)13(5-6-13)8-10-3-4-11(14)7-12(10)15/h3-4,7,9,16H,5-6,8H2,1-2H3
InChIKeyIDYVVIVGVIJTNR-UHFFFAOYSA-N
MW258.19 g/mol
LogP3.92
Rot. Bonds4

About 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]-N-methylethanamine

1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]-N-methylethanamine (PubChem CID 106797533) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]-N-methylethanamine
PubChem CID106797533
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]-N-methylethanamine
SMILESCNC(C)C1(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H17Cl2N/c1-9(16-2)13(5-6-13)8-10-3-4-11(14)7-12(10)15/h3-4,7,9,16H,5-6,8H2,1-2H3
InChIKeyIDYVVIVGVIJTNR-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanol
CID 106798312
1-[1-[(4-chloro-2-nitrophenyl)methyl]cyclopropyl]-N-methylethanamine
CID 106797699
1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 55194513
2-[(2,4-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66467195
2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770042
1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 79333265
1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone
CID 82293557
3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 63401781
2-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-chloro-1-fluorobenzene
CID 106798672
1-(2,4-dichlorophenyl)-3-methoxy-N,4-dimethylpentan-2-amine
CID 116719918
1-[(2,4-dichlorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65424709
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]-N-methylethanamine?
The IUPAC name of 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]-N-methylethanamine (CID 106797533) is 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]-N-methylethanamine?
The canonical SMILES for 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]-N-methylethanamine is CNC(C)C1(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]-N-methylethanamine?
The InChIKey is IDYVVIVGVIJTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-9(16-2)13(5-6-13)8-10-3-4-11(14)7-12(10)15/h3-4,7,9,16H,5-6,8H2,1-2H3.
What are the key properties of 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]-N-methylethanamine?
1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]-N-methylethanamine has a molecular weight of 258.19 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]-N-methylethanamine is sourced from PubChem (CID 106797533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).