1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine

C15H21BrFN — CID 65079897

IUPAC1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(N)(Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C15H21BrFN/c1-11-3-2-7-15(18,8-6-11)10-12-4-5-14(17)13(16)9-12/h4-5,9,11H,2-3,6-8,10,18H2,1H3
InChIKeyFXBHIEAHAZRITI-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.43
Rot. Bonds2

About 1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine

1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine (PubChem CID 65079897) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
PubChem CID65079897
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(N)(Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C15H21BrFN/c1-11-3-2-7-15(18,8-6-11)10-12-4-5-14(17)13(16)9-12/h4-5,9,11H,2-3,6-8,10,18H2,1H3
InChIKeyFXBHIEAHAZRITI-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086513
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylcycloheptan-1-amine
CID 65086350
1-[(4-chloro-3-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 114012591
1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol
CID 54971162
1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080003
1-[(3,4-difluorophenyl)methyl]-4-propylcycloheptan-1-amine
CID 82919808
1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080509
1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 62595059
1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60799051
1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 60798898
1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 104776358
N-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 28551294

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine (CID 65079897) is 1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine is CC1CCCC(N)(Cc2ccc(F)c(Br)c2)CC1.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine?
The InChIKey is FXBHIEAHAZRITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-11-3-2-7-15(18,8-6-11)10-12-4-5-14(17)13(16)9-12/h4-5,9,11H,2-3,6-8,10,18H2,1H3.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine?
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine has a molecular weight of 314.24 g/mol, XLogP of 4.43, 2 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)methyl]-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65079897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).