N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine

C14H19BrFN — CID 104776025

IUPACN-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(Nc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C14H19BrFN/c1-10-3-2-4-11(6-5-10)17-12-7-8-14(16)13(15)9-12/h7-11,17H,2-6H2,1H3
InChIKeyUENYVGOSGFWKIM-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.97
Rot. Bonds2

About N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine

N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine (PubChem CID 104776025) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
PubChem CID104776025
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC NameN-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(Nc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C14H19BrFN/c1-10-3-2-4-11(6-5-10)17-12-7-8-14(16)13(15)9-12/h7-11,17H,2-6H2,1H3
InChIKeyUENYVGOSGFWKIM-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine
CID 65081163
N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine
CID 65080494
N-(4-bromo-2,5-difluorophenyl)-4-methylcycloheptan-1-amine
CID 107609540
3-bromo-4-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
CID 113451908
3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline
CID 104776139
3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline
CID 113451910
N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine
CID 104775951
N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine
CID 65080891
(3S)-N-(3-bromo-4-fluorophenyl)thian-3-amine
CID 97358764
4-bromo-N-cyclopropyl-3-fluoroaniline
CID 103439274
N-(3,5-dichloro-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 107572556
N-(3-bromo-4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 113451938

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine (CID 104776025) is N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine is CC1CCCC(Nc2ccc(F)c(Br)c2)CC1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine?
The InChIKey is UENYVGOSGFWKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-10-3-2-4-11(6-5-10)17-12-7-8-14(16)13(15)9-12/h7-11,17H,2-6H2,1H3.
What are the key properties of N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine?
N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine has a molecular weight of 300.21 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine is sourced from PubChem (CID 104776025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).