2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine

C15H21BrFN — CID 81014650

IUPAC2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCC1(C)CCC(N)C(Cc2cc(F)ccc2Br)C1
InChIInChI=1S/C15H21BrFN/c1-15(2)6-5-14(18)11(9-15)7-10-8-12(17)3-4-13(10)16/h3-4,8,11,14H,5-7,9,18H2,1-2H3
InChIKeyALZGOEHAISUKFE-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.28
Rot. Bonds2

About 2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine

2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine (PubChem CID 81014650) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine
PubChem CID81014650
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCC1(C)CCC(N)C(Cc2cc(F)ccc2Br)C1
InChIInChI=1S/C15H21BrFN/c1-15(2)6-5-14(18)11(9-15)7-10-8-12(17)3-4-13(10)16/h3-4,8,11,14H,5-7,9,18H2,1-2H3
InChIKeyALZGOEHAISUKFE-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 81012625
2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine
CID 81015031
2-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81014088
2-[(2-bromo-4-fluorophenyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81020759
1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene
CID 64910113
1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 81033459
1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81031224
3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 64908983
2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 61382402
4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 81014967
2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 63460147
1-[(2-bromo-5-fluorophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81314859

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine (CID 81014650) is 2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine is CC1(C)CCC(N)C(Cc2cc(F)ccc2Br)C1.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine?
The InChIKey is ALZGOEHAISUKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-15(2)6-5-14(18)11(9-15)7-10-8-12(17)3-4-13(10)16/h3-4,8,11,14H,5-7,9,18H2,1-2H3.
What are the key properties of 2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine?
2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine has a molecular weight of 314.24 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81014650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).