N-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine

C14H19BrFN — CID 79710408

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine
SMILESCC1(NCc2cc(F)cc(Br)c2)CCCCC1
InChIInChI=1S/C14H19BrFN/c1-14(5-3-2-4-6-14)17-10-11-7-12(15)9-13(16)8-11/h7-9,17H,2-6,10H2,1H3
InChIKeyGAWUCYPIPNXKIA-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.40
Rot. Bonds3

About N-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine

N-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine (PubChem CID 79710408) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine
PubChem CID79710408
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine
SMILESCC1(NCc2cc(F)cc(Br)c2)CCCCC1
InChIInChI=1S/C14H19BrFN/c1-14(5-3-2-4-6-14)17-10-11-7-12(15)9-13(16)8-11/h7-9,17H,2-6,10H2,1H3
InChIKeyGAWUCYPIPNXKIA-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol
CID 107740736
N-[(3-bromo-5-fluorophenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 114158902
1-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclobutan-1-amine
CID 115765781
[1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79710411
1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 79701490
1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine
CID 79701350
N-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107424600
N-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine
CID 66473220
N-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765892
[4-[(3-bromo-5-fluorophenyl)methylamino]oxan-4-yl]methanol
CID 113249833
2-[(3-bromo-5-fluorophenyl)methyl]-2-methylazepane
CID 79708666
2-(3-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone
CID 80685776

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine (CID 79710408) is N-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine is CC1(NCc2cc(F)cc(Br)c2)CCCCC1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine?
The InChIKey is GAWUCYPIPNXKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-14(5-3-2-4-6-14)17-10-11-7-12(15)9-13(16)8-11/h7-9,17H,2-6,10H2,1H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine?
N-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine has a molecular weight of 300.21 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine is sourced from PubChem (CID 79710408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).