N-[(4-bromo-3-chlorophenyl)methyl]-N-ethylethanamine

C11H15BrClN — CID 74889407

IUPACN-[(4-bromo-3-chlorophenyl)methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H15BrClN/c1-3-14(4-2)8-9-5-6-10(12)11(13)7-9/h5-7H,3-4,8H2,1-2H3
InChIKeyMQUUCGVJXCDSDG-UHFFFAOYSA-N
MW276.60 g/mol
LogP3.94
Rot. Bonds4

About N-[(4-bromo-3-chlorophenyl)methyl]-N-ethylethanamine

N-[(4-bromo-3-chlorophenyl)methyl]-N-ethylethanamine (PubChem CID 74889407) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)methyl]-N-ethylethanamine
PubChem CID74889407
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC NameN-[(4-bromo-3-chlorophenyl)methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H15BrClN/c1-3-14(4-2)8-9-5-6-10(12)11(13)7-9/h5-7H,3-4,8H2,1-2H3
InChIKeyMQUUCGVJXCDSDG-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 2058180
N-[(4-bromo-3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine
CID 155635571
1-bromo-2-chloro-4-(ethylsulfanylmethyl)benzene
CID 117220623
N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
2-[(3,4-dichlorophenyl)methyl-ethylamino]acetonitrile
CID 61035372
2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-N-ethylethanamine
CID 107887497
N-[(2-bromo-6-chlorophenyl)methyl]-N-ethylethanamine
CID 125116042
(2S)-1-(4-bromo-3-chlorophenyl)propan-2-amine
CID 130730966
4-(bromomethyl)-2-chloro-N,N-diethylaniline
CID 107078904
1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 103581679
N-[(4-bromo-3-chlorophenyl)methyl]propan-1-amine;fluoromethane
CID 142451886
3-[(3-chloro-4-fluorophenyl)methyl-ethylamino]propan-1-ol
CID 103887243

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-N-ethylethanamine?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-N-ethylethanamine (CID 74889407) is N-[(4-bromo-3-chlorophenyl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)methyl]-N-ethylethanamine is CCN(CC)Cc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)methyl]-N-ethylethanamine?
The InChIKey is MQUUCGVJXCDSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-3-14(4-2)8-9-5-6-10(12)11(13)7-9/h5-7H,3-4,8H2,1-2H3.
What are the key properties of N-[(4-bromo-3-chlorophenyl)methyl]-N-ethylethanamine?
N-[(4-bromo-3-chlorophenyl)methyl]-N-ethylethanamine has a molecular weight of 276.60 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-chlorophenyl)methyl]-N-ethylethanamine is sourced from PubChem (CID 74889407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).