N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine

C11H15BrClN — CID 62984148

IUPACN-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine
SMILESCC(c1ccc(Cl)cc1)N(C)CCBr
InChIInChI=1S/C11H15BrClN/c1-9(14(2)8-7-12)10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKeyMVEXBMPKFPFMMJ-UHFFFAOYSA-N
MW276.61 g/mol
LogP3.73
Rot. Bonds4

About N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine

N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine (PubChem CID 62984148) has the molecular formula C11H15BrClN and a molecular weight of 276.61 g/mol. Its IUPAC name is N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine
PubChem CID62984148
Molecular FormulaC11H15BrClN
Molecular Weight276.61 g/mol
Exact Mass275.01
IUPAC NameN-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine
SMILESCC(c1ccc(Cl)cc1)N(C)CCBr
InChIInChI=1S/C11H15BrClN/c1-9(14(2)8-7-12)10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKeyMVEXBMPKFPFMMJ-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.61
LogP ≤ 53.73
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'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 79479688
1-[1-(4-chlorophenyl)ethyl-methylamino]-4,4-dimethylpentan-3-ol
CID 55142601
2-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpentan-1-amine
CID 65013047
N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62983688
N'-[1-(4-chlorophenyl)ethyl]-N-ethyl-N'-methylbutane-1,4-diamine
CID 62983848
N-[2-[2-(aminomethyl)phenyl]ethyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 81313613
1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62979943
N'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62984575
3-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 55149256
4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbut-2-en-1-amine
CID 77051639
N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine
CID 101225058

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine?
The IUPAC name of N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine (CID 62984148) is N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine?
The canonical SMILES for N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine is CC(c1ccc(Cl)cc1)N(C)CCBr.
What is the InChIKey of N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine?
The InChIKey is MVEXBMPKFPFMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-9(14(2)8-7-12)10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine?
N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine has a molecular weight of 276.61 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 62984148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).