N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylcyclohexan-1-amine

C15H21BrFN — CID 82961576

IUPACN-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NC(C)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C15H21BrFN/c1-10-3-6-13(7-4-10)18-11(2)14-9-12(16)5-8-15(14)17/h5,8-11,13,18H,3-4,6-7H2,1-2H3
InChIKeyOWWBYBBXWGOLNT-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.82
Rot. Bonds3

About N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylcyclohexan-1-amine

N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylcyclohexan-1-amine (PubChem CID 82961576) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylcyclohexan-1-amine
PubChem CID82961576
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NC(C)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C15H21BrFN/c1-10-3-6-13(7-4-10)18-11(2)14-9-12(16)5-8-15(14)17/h5,8-11,13,18H,3-4,6-7H2,1-2H3
InChIKeyOWWBYBBXWGOLNT-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107850032
3-[1-(5-bromo-2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 82974002
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 82962821
N-[1-(2,4-difluorophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43081227
2-[4-[1-(5-bromo-2-fluorophenyl)ethylamino]piperidin-1-yl]acetamide
CID 81298064
N-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43080674
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 82964868
1-(5-bromo-2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 82963871
2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile
CID 43151679
tert-butyl 3-[1-(5-bromo-2-fluorophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 107239382
4-bromo-2-[1-(cyclopentylamino)ethyl]phenol
CID 104581360
5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol
CID 55145915

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylcyclohexan-1-amine (CID 82961576) is N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylcyclohexan-1-amine is CC1CCC(NC(C)c2cc(Br)ccc2F)CC1.
What is the InChIKey of N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylcyclohexan-1-amine?
The InChIKey is OWWBYBBXWGOLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-10-3-6-13(7-4-10)18-11(2)14-9-12(16)5-8-15(14)17/h5,8-11,13,18H,3-4,6-7H2,1-2H3.
What are the key properties of N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylcyclohexan-1-amine?
N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylcyclohexan-1-amine has a molecular weight of 314.24 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 82961576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).