N-(2-bromoethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopropanamine

C12H14BrCl2N — CID 80668807

IUPACN-(2-bromoethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopropanamine
SMILESClc1cccc(Cl)c1CN(CCBr)C1CC1
InChIInChI=1S/C12H14BrCl2N/c13-6-7-16(9-4-5-9)8-10-11(14)2-1-3-12(10)15/h1-3,9H,4-8H2
InChIKeyCOUSAQZTNZLPMR-UHFFFAOYSA-N
MW323.06 g/mol
LogP4.35
Rot. Bonds5

About N-(2-bromoethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopropanamine

N-(2-bromoethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopropanamine (PubChem CID 80668807) has the molecular formula C12H14BrCl2N and a molecular weight of 323.06 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopropanamine
PubChem CID80668807
Molecular FormulaC12H14BrCl2N
Molecular Weight323.06 g/mol
Exact Mass320.97
IUPAC NameN-(2-bromoethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopropanamine
SMILESClc1cccc(Cl)c1CN(CCBr)C1CC1
InChIInChI=1S/C12H14BrCl2N/c13-6-7-16(9-4-5-9)8-10-11(14)2-1-3-12(10)15/h1-3,9H,4-8H2
InChIKeyCOUSAQZTNZLPMR-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.06
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-[(2-chloro-6-fluorophenyl)methyl]cyclopentanamine
CID 80673133
N-(2-bromoethyl)-N-[(2-chlorophenyl)methyl]cyclobutanamine
CID 102860888
N-(2-bromoethyl)-N-[(2,3-dichlorophenyl)methyl]cyclopentanamine
CID 107310031
3-[cyclopropyl-[(2,6-dichlorophenyl)methyl]amino]propanethioamide
CID 54997488
N-(2-bromoethyl)-N-[(2,6-difluorophenyl)methyl]cyclobutanamine
CID 102860832
N-(2-bromoethyl)-N-[(2-chloro-3-fluorophenyl)methyl]cyclopropanamine
CID 112654410
N-(2-bromoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]cyclopropanamine
CID 103050016
N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 55204961
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621780
N-(2-bromoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 80666990
3-chloro-2-[[cyclopentyl(3-methylbutyl)amino]methyl]phenol
CID 82982839
N-(2-bromoethyl)-N-[(2-chloro-4-fluorophenyl)methyl]cyclobutanamine
CID 102860916

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopropanamine?
The IUPAC name of N-(2-bromoethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopropanamine (CID 80668807) is N-(2-bromoethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopropanamine?
The canonical SMILES for N-(2-bromoethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopropanamine is Clc1cccc(Cl)c1CN(CCBr)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopropanamine?
The InChIKey is COUSAQZTNZLPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2N/c13-6-7-16(9-4-5-9)8-10-11(14)2-1-3-12(10)15/h1-3,9H,4-8H2.
What are the key properties of N-(2-bromoethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopropanamine?
N-(2-bromoethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopropanamine has a molecular weight of 323.06 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopropanamine is sourced from PubChem (CID 80668807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).