1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine

C15H21BrFN — CID 114457720

IUPAC1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine
SMILESNC(CC1CCCCCC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H21BrFN/c16-13-10-12(7-8-14(13)17)15(18)9-11-5-3-1-2-4-6-11/h7-8,10-11,15H,1-6,9,18H2
InChIKeyLDMIDCJJIHZCGU-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.95
Rot. Bonds3

About 1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine

1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine (PubChem CID 114457720) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine
PubChem CID114457720
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine
SMILESNC(CC1CCCCCC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H21BrFN/c16-13-10-12(7-8-14(13)17)15(18)9-11-5-3-1-2-4-6-11/h7-8,10-11,15H,1-6,9,18H2
InChIKeyLDMIDCJJIHZCGU-UHFFFAOYSA-N
XLogP4.95
TPSA26.02 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 ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene
CID 79742311
2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 115847288
1-(3-bromo-4-fluorophenyl)-2-cyclobutylethanol
CID 82809898
1-(3-bromo-2,6-difluorophenyl)-2-cycloheptylethanamine
CID 106944608
(R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine
CID 130054470
[(3-bromo-4-fluorophenyl)-cyclopentylmethyl]hydrazine
CID 105264024
2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 65459488
(R)-(3-bromo-4-fluorophenyl)-cyclopropylmethanamine
CID 130739408
1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 43775644
(1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine
CID 130840491
(1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine
CID 130618346
1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine
CID 114027016

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine (CID 114457720) is 1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine is NC(CC1CCCCCC1)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine?
The InChIKey is LDMIDCJJIHZCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c16-13-10-12(7-8-14(13)17)15(18)9-11-5-3-1-2-4-6-11/h7-8,10-11,15H,1-6,9,18H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine?
1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine has a molecular weight of 314.24 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine is sourced from PubChem (CID 114457720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).