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

C14H19BrFN — CID 28551294

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C14H19BrFN/c1-10-2-5-12(6-3-10)17-9-11-4-7-14(16)13(15)8-11/h4,7-8,10,12,17H,2-3,5-6,9H2,1H3
InChIKeyOSONVRFAOHZIKM-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.26
Rot. Bonds3

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

N-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 28551294) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
PubChem CID28551294
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C14H19BrFN/c1-10-2-5-12(6-3-10)17-9-11-4-7-14(16)13(15)8-11/h4,7-8,10,12,17H,2-3,5-6,9H2,1H3
InChIKeyOSONVRFAOHZIKM-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671512
N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397492
N-[[1-[(3-bromo-4-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66405984
N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83231219
N-[(3-bromo-4-fluorophenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 113237893
N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079881
N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65081377
N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861703
N-[[3-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83233513
N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine
CID 29222762
N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105401447
N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60790274

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine (CID 28551294) is N-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine is CC1CCC(NCc2ccc(F)c(Br)c2)CC1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is OSONVRFAOHZIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-10-2-5-12(6-3-10)17-9-11-4-7-14(16)13(15)8-11/h4,7-8,10,12,17H,2-3,5-6,9H2,1H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine?
N-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 300.21 g/mol, XLogP of 4.26, 3 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)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 28551294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).