N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine

C15H21BrFN — CID 65079881

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(NCc2cc(Br)ccc2F)CC1
InChIInChI=1S/C15H21BrFN/c1-11-3-2-4-14(7-5-11)18-10-12-9-13(16)6-8-15(12)17/h6,8-9,11,14,18H,2-5,7,10H2,1H3
InChIKeyZRGAKJMBFWBPPQ-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.65
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine

N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine (PubChem CID 65079881) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
PubChem CID65079881
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(NCc2cc(Br)ccc2F)CC1
InChIInChI=1S/C15H21BrFN/c1-11-3-2-4-14(7-5-11)18-10-12-9-13(16)6-8-15(12)17/h6,8-9,11,14,18H,2-5,7,10H2,1H3
InChIKeyZRGAKJMBFWBPPQ-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091603
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317429
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070645
N-[(2,5-dibromophenyl)methyl]cyclobutanamine
CID 130682714
N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine
CID 103793012
N-[(5-bromo-2-fluorophenyl)methyl]-1-oxothian-4-amine
CID 54981395
N-[(5-bromo-2-fluorophenyl)methyl]-5-methylthiolan-3-amine
CID 79949958
2-[4-[(5-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]cyclopentan-1-ol
CID 75383943
N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine
CID 63455619
N-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 28551294
N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65081377
N-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61221751

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine (CID 65079881) is N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine is CC1CCCC(NCc2cc(Br)ccc2F)CC1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine?
The InChIKey is ZRGAKJMBFWBPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-11-3-2-4-14(7-5-11)18-10-12-9-13(16)6-8-15(12)17/h6,8-9,11,14,18H,2-5,7,10H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine has a molecular weight of 314.24 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65079881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).