2-chloro-2-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]ethanamine

C12H14Cl3N — CID 65029881

IUPAC2-chloro-2-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]ethanamine
SMILESClc1ccc(CNCC(Cl)C2CC2)c(Cl)c1
InChIInChI=1S/C12H14Cl3N/c13-10-4-3-9(11(14)5-10)6-16-7-12(15)8-1-2-8/h3-5,8,12,16H,1-2,6-7H2
InChIKeyCNHYKXQFCBOWIZ-UHFFFAOYSA-N
MW278.61 g/mol
LogP4.10
Rot. Bonds5

About 2-chloro-2-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]ethanamine

2-chloro-2-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]ethanamine (PubChem CID 65029881) has the molecular formula C12H14Cl3N and a molecular weight of 278.61 g/mol. Its IUPAC name is 2-chloro-2-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-chloro-2-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]ethanamine
PubChem CID65029881
Molecular FormulaC12H14Cl3N
Molecular Weight278.61 g/mol
Exact Mass277.02
IUPAC Name2-chloro-2-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]ethanamine
SMILESClc1ccc(CNCC(Cl)C2CC2)c(Cl)c1
InChIInChI=1S/C12H14Cl3N/c13-10-4-3-9(11(14)5-10)6-16-7-12(15)8-1-2-8/h3-5,8,12,16H,1-2,6-7H2
InChIKeyCNHYKXQFCBOWIZ-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.61
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2,4-dichlorophenyl)methyl]-3-ethylpentan-1-amine
CID 114168462
2-chloro-2-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 65030216
2-[(2-bromo-4-chlorophenyl)methylamino]-1-cyclopropylethanol
CID 81499030
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354
2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 65029705
1-cyclopropyl-2-(2,4-dichlorophenyl)ethanamine
CID 62602404
2-[(2-bromo-5-chlorophenyl)methylamino]-1-cyclopropylethanol
CID 66159586
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[(2,4-dichlorophenyl)methyl]-1-[3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride
CID 90665221
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
CID 4715652
3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutan-1-ol
CID 66005122
2-chloro-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]ethanamine
CID 65029818

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]ethanamine?
The IUPAC name of 2-chloro-2-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]ethanamine (CID 65029881) is 2-chloro-2-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-chloro-2-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for 2-chloro-2-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]ethanamine is Clc1ccc(CNCC(Cl)C2CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-2-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]ethanamine?
The InChIKey is CNHYKXQFCBOWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3N/c13-10-4-3-9(11(14)5-10)6-16-7-12(15)8-1-2-8/h3-5,8,12,16H,1-2,6-7H2.
What are the key properties of 2-chloro-2-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]ethanamine?
2-chloro-2-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]ethanamine has a molecular weight of 278.61 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 65029881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).