N-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine

C12H15BrClN — CID 104994290

IUPACN-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1Cl)C1CC1
InChIInChI=1S/C12H15BrClN/c1-2-15-12(8-3-4-8)10-7-9(13)5-6-11(10)14/h5-8,12,15H,2-4H2,1H3
InChIKeyATMMSZBIQFUMNO-UHFFFAOYSA-N
MW288.62 g/mol
LogP4.16
Rot. Bonds4

About N-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine

N-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine (PubChem CID 104994290) has the molecular formula C12H15BrClN and a molecular weight of 288.62 g/mol. Its IUPAC name is N-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine
PubChem CID104994290
Molecular FormulaC12H15BrClN
Molecular Weight288.62 g/mol
Exact Mass287.01
IUPAC NameN-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1Cl)C1CC1
InChIInChI=1S/C12H15BrClN/c1-2-15-12(8-3-4-8)10-7-9(13)5-6-11(10)14/h5-8,12,15H,2-4H2,1H3
InChIKeyATMMSZBIQFUMNO-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.62
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-chlorophenyl)-cycloheptylmethyl]ethanamine
CID 105027844
N-[(5-bromo-2-chlorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 115855995
N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976
[(5-bromo-2-chlorophenyl)-cyclobutylmethyl]hydrazine
CID 105340076
N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine
CID 43488686
N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988095
N-[(5-bromo-2-chlorophenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107138915
N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492925
(5-bromo-2-chlorophenyl)-cyclopropylmethanol
CID 115810196
N-[(5-bromo-2-chlorophenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625398
N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine
CID 43489055
1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986286

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine (CID 104994290) is N-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine is CCNC(c1cc(Br)ccc1Cl)C1CC1.
What is the InChIKey of N-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine?
The InChIKey is ATMMSZBIQFUMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN/c1-2-15-12(8-3-4-8)10-7-9(13)5-6-11(10)14/h5-8,12,15H,2-4H2,1H3.
What are the key properties of N-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine?
N-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine has a molecular weight of 288.62 g/mol, XLogP of 4.16, 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)-cyclopropylmethyl]ethanamine is sourced from PubChem (CID 104994290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).