N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine

C14H21BrFN — CID 63452803

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCc1cc(F)ccc1Br
InChIInChI=1S/C14H21BrFN/c1-10(2)4-5-11(3)17-9-12-8-13(16)6-7-14(12)15/h6-8,10-11,17H,4-5,9H2,1-3H3
InChIKeyKFEJVBOSUUWMBT-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.50
Rot. Bonds6

About N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine

N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine (PubChem CID 63452803) has the molecular formula C14H21BrFN and a molecular weight of 302.23 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine
PubChem CID63452803
Molecular FormulaC14H21BrFN
Molecular Weight302.23 g/mol
Exact Mass301.08
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCc1cc(F)ccc1Br
InChIInChI=1S/C14H21BrFN/c1-10(2)4-5-11(3)17-9-12-8-13(16)6-7-14(12)15/h6-8,10-11,17H,4-5,9H2,1-3H3
InChIKeyKFEJVBOSUUWMBT-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-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

N-[(2-bromo-5-fluorophenyl)methyl]-4-phenylbutan-2-amine
CID 63452332
(2R)-N-[(2-bromo-5-fluorophenyl)methyl]-4-methylsulfonylbutan-2-amine
CID 97102271
3-[(2-bromo-5-fluorophenyl)methylamino]butanenitrile
CID 61016435
2-N-[(2-bromo-5-fluorophenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54958788
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine
CID 61016312
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155
N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-1-amine
CID 113287438
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380519
3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol
CID 81421994
1-(2-bromo-5-fluorophenyl)-N,5-dimethylhexan-2-amine
CID 62603162
1-(2-bromo-5-fluorophenyl)-5-methylhexan-2-amine
CID 62604665
N-[(2-bromo-5-fluorophenyl)methyl]undecan-6-amine
CID 63452545

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine (CID 63452803) is N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine is CC(C)CCC(C)NCc1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine?
The InChIKey is KFEJVBOSUUWMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFN/c1-10(2)4-5-11(3)17-9-12-8-13(16)6-7-14(12)15/h6-8,10-11,17H,4-5,9H2,1-3H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine?
N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine has a molecular weight of 302.23 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine is sourced from PubChem (CID 63452803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).