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

C16H23BrClN — CID 105027844

IUPACN-[(5-bromo-2-chlorophenyl)-cycloheptylmethyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1Cl)C1CCCCCC1
InChIInChI=1S/C16H23BrClN/c1-2-19-16(12-7-5-3-4-6-8-12)14-11-13(17)9-10-15(14)18/h9-12,16,19H,2-8H2,1H3
InChIKeyAFNBXEQDWLOGAH-UHFFFAOYSA-N
MW344.72 g/mol
LogP5.72
Rot. Bonds4

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

N-[(5-bromo-2-chlorophenyl)-cycloheptylmethyl]ethanamine (PubChem CID 105027844) has the molecular formula C16H23BrClN and a molecular weight of 344.72 g/mol. Its IUPAC name is N-[(5-bromo-2-chlorophenyl)-cycloheptylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-chlorophenyl)-cycloheptylmethyl]ethanamine
PubChem CID105027844
Molecular FormulaC16H23BrClN
Molecular Weight344.72 g/mol
Exact Mass343.07
IUPAC NameN-[(5-bromo-2-chlorophenyl)-cycloheptylmethyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1Cl)C1CCCCCC1
InChIInChI=1S/C16H23BrClN/c1-2-19-16(12-7-5-3-4-6-8-12)14-11-13(17)9-10-15(14)18/h9-12,16,19H,2-8H2,1H3
InChIKeyAFNBXEQDWLOGAH-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.72
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 104994290
N-[(5-bromo-2-chlorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 115855995
N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976
N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine
CID 55195117
N-[(4-bromo-5-chloro-2-fluorophenyl)-cyclooctylmethyl]ethanamine
CID 105398992
[(5-bromo-2-chlorophenyl)-cyclobutylmethyl]hydrazine
CID 105340076
N-[(5-bromo-2-chlorophenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107138915
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine
CID 105027710
N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 65018310
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493095
N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 64712638
N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine
CID 60787800

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-chlorophenyl)-cycloheptylmethyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-chlorophenyl)-cycloheptylmethyl]ethanamine (CID 105027844) is N-[(5-bromo-2-chlorophenyl)-cycloheptylmethyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-chlorophenyl)-cycloheptylmethyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-chlorophenyl)-cycloheptylmethyl]ethanamine is CCNC(c1cc(Br)ccc1Cl)C1CCCCCC1.
What is the InChIKey of N-[(5-bromo-2-chlorophenyl)-cycloheptylmethyl]ethanamine?
The InChIKey is AFNBXEQDWLOGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClN/c1-2-19-16(12-7-5-3-4-6-8-12)14-11-13(17)9-10-15(14)18/h9-12,16,19H,2-8H2,1H3.
What are the key properties of N-[(5-bromo-2-chlorophenyl)-cycloheptylmethyl]ethanamine?
N-[(5-bromo-2-chlorophenyl)-cycloheptylmethyl]ethanamine has a molecular weight of 344.72 g/mol, XLogP of 5.72, 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)-cycloheptylmethyl]ethanamine is sourced from PubChem (CID 105027844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).