N-[(5-bromo-2-chlorophenyl)methyl]-2-methylprop-2-en-1-amine

C11H13BrClN — CID 102673478

IUPACN-[(5-bromo-2-chlorophenyl)methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNCc1cc(Br)ccc1Cl
InChIInChI=1S/C11H13BrClN/c1-8(2)6-14-7-9-5-10(12)3-4-11(9)13/h3-5,14H,1,6-7H2,2H3
InChIKeyWLCHMZMLEKFCLU-UHFFFAOYSA-N
MW274.59 g/mol
LogP3.77
Rot. Bonds4

About N-[(5-bromo-2-chlorophenyl)methyl]-2-methylprop-2-en-1-amine

N-[(5-bromo-2-chlorophenyl)methyl]-2-methylprop-2-en-1-amine (PubChem CID 102673478) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is N-[(5-bromo-2-chlorophenyl)methyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-chlorophenyl)methyl]-2-methylprop-2-en-1-amine
PubChem CID102673478
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC NameN-[(5-bromo-2-chlorophenyl)methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNCc1cc(Br)ccc1Cl
InChIInChI=1S/C11H13BrClN/c1-8(2)6-14-7-9-5-10(12)3-4-11(9)13/h3-5,14H,1,6-7H2,2H3
InChIKeyWLCHMZMLEKFCLU-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine
CID 114616826
tert-butyl 2-[(5-bromo-2-chlorophenyl)methylamino]acetate
CID 113357709
1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
CID 155822080
N-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine
CID 115406997
4-[(5-bromo-2-chlorophenyl)methylamino]-3,3-dimethylbutan-1-ol
CID 103793251
1-[(5-bromo-2-chlorophenyl)methylamino]pentan-3-ol
CID 115732835
N-[(5-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 103792636
N-[(5-bromo-2-chlorophenyl)methyl]-2-methoxypropan-1-amine
CID 102795107
N-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757558
N-[(5-bromo-2-chlorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 103792951
N-[(5-bromo-2-chlorophenyl)methyl]-1-(2-fluorophenyl)methanamine
CID 103792327
N-[(5-bromo-2-chlorophenyl)methyl]-4-methoxybutan-1-amine
CID 115732088

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]-2-methylprop-2-en-1-amine (CID 102673478) is N-[(5-bromo-2-chlorophenyl)methyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[(5-bromo-2-chlorophenyl)methyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[(5-bromo-2-chlorophenyl)methyl]-2-methylprop-2-en-1-amine is C=C(C)CNCc1cc(Br)ccc1Cl.
What is the InChIKey of N-[(5-bromo-2-chlorophenyl)methyl]-2-methylprop-2-en-1-amine?
The InChIKey is WLCHMZMLEKFCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN/c1-8(2)6-14-7-9-5-10(12)3-4-11(9)13/h3-5,14H,1,6-7H2,2H3.
What are the key properties of N-[(5-bromo-2-chlorophenyl)methyl]-2-methylprop-2-en-1-amine?
N-[(5-bromo-2-chlorophenyl)methyl]-2-methylprop-2-en-1-amine has a molecular weight of 274.59 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-chlorophenyl)methyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 102673478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).