2-chloro-2-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]ethanamine

C12H14Cl3N — CID 65030216

IUPAC2-chloro-2-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]ethanamine
SMILESClc1ccc(CNCC(Cl)C2CC2)cc1Cl
InChIInChI=1S/C12H14Cl3N/c13-10-4-1-8(5-11(10)14)6-16-7-12(15)9-2-3-9/h1,4-5,9,12,16H,2-3,6-7H2
InChIKeyQGPNWMPFOBUKMB-UHFFFAOYSA-N
MW278.61 g/mol
LogP4.10
Rot. Bonds5

About 2-chloro-2-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]ethanamine

2-chloro-2-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]ethanamine (PubChem CID 65030216) has the molecular formula C12H14Cl3N and a molecular weight of 278.61 g/mol. Its IUPAC name is 2-chloro-2-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-chloro-2-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]ethanamine
PubChem CID65030216
Molecular FormulaC12H14Cl3N
Molecular Weight278.61 g/mol
Exact Mass277.02
IUPAC Name2-chloro-2-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]ethanamine
SMILESClc1ccc(CNCC(Cl)C2CC2)cc1Cl
InChIInChI=1S/C12H14Cl3N/c13-10-4-1-8(5-11(10)14)6-16-7-12(15)9-2-3-9/h1,4-5,9,12,16H,2-3,6-7H2
InChIKeyQGPNWMPFOBUKMB-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-2-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 65029881
1,2-dichloro-4-(2-chloro-2-cyclobutylethyl)benzene
CID 63529747
2-chloro-2-cyclopropyl-N-(thiophen-3-ylmethyl)ethanamine
CID 65029704
[1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane
CID 63531103
1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17293833
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol
CID 65021909
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol
CID 2978838
N-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine
CID 115655535
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329577
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride
CID 2978837
N-[(3,4-dichlorophenyl)methyl]-3-methylbutan-1-amine
CID 17206875

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]ethanamine?
The IUPAC name of 2-chloro-2-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]ethanamine (CID 65030216) is 2-chloro-2-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-chloro-2-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for 2-chloro-2-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]ethanamine is Clc1ccc(CNCC(Cl)C2CC2)cc1Cl.
What is the InChIKey of 2-chloro-2-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]ethanamine?
The InChIKey is QGPNWMPFOBUKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3N/c13-10-4-1-8(5-11(10)14)6-16-7-12(15)9-2-3-9/h1,4-5,9,12,16H,2-3,6-7H2.
What are the key properties of 2-chloro-2-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]ethanamine?
2-chloro-2-cyclopropyl-N-[(3,4-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-[(3,4-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 65030216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).