1-(3-bromo-2-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine

C15H21BrFN — CID 106830781

IUPAC1-(3-bromo-2-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
SMILESCNC(c1cccc(Br)c1F)C1(C)CCCCC1
InChIInChI=1S/C15H21BrFN/c1-15(9-4-3-5-10-15)14(18-2)11-7-6-8-12(16)13(11)17/h6-8,14,18H,3-5,9-10H2,1-2H3
InChIKeyXIQFMFJWWBBMMK-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.82
Rot. Bonds3

About 1-(3-bromo-2-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine

1-(3-bromo-2-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine (PubChem CID 106830781) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
PubChem CID106830781
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name1-(3-bromo-2-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
SMILESCNC(c1cccc(Br)c1F)C1(C)CCCCC1
InChIInChI=1S/C15H21BrFN/c1-15(9-4-3-5-10-15)14(18-2)11-7-6-8-12(16)13(11)17/h6-8,14,18H,3-5,9-10H2,1-2H3
InChIKeyXIQFMFJWWBBMMK-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanol
CID 106831073
1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylmethanamine
CID 106646157
1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 106646181
1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 106649216
1-[(3-bromo-2-fluorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 106645829
N-methyl-1-(1-methylcyclohexyl)-1-(2-methylphenyl)methanamine
CID 106829818
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106827094
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830046
1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830126
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830699
1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine
CID 106647929
1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 82791986

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine (CID 106830781) is 1-(3-bromo-2-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine is CNC(c1cccc(Br)c1F)C1(C)CCCCC1.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
The InChIKey is XIQFMFJWWBBMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-15(9-4-3-5-10-15)14(18-2)11-7-6-8-12(16)13(11)17/h6-8,14,18H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
1-(3-bromo-2-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine has a molecular weight of 314.24 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine is sourced from PubChem (CID 106830781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).