3-[(4-bromo-2-fluorophenyl)methyl]-N,4-dimethylpentan-2-amine

C14H21BrFN — CID 62914728

IUPAC3-[(4-bromo-2-fluorophenyl)methyl]-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(Cc1ccc(Br)cc1F)C(C)C
InChIInChI=1S/C14H21BrFN/c1-9(2)13(10(3)17-4)7-11-5-6-12(15)8-14(11)16/h5-6,8-10,13,17H,7H2,1-4H3
InChIKeyQKFRFEQHKLDUTI-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.01
Rot. Bonds5

About 3-[(4-bromo-2-fluorophenyl)methyl]-N,4-dimethylpentan-2-amine

3-[(4-bromo-2-fluorophenyl)methyl]-N,4-dimethylpentan-2-amine (PubChem CID 62914728) has the molecular formula C14H21BrFN and a molecular weight of 302.23 g/mol. Its IUPAC name is 3-[(4-bromo-2-fluorophenyl)methyl]-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-[(4-bromo-2-fluorophenyl)methyl]-N,4-dimethylpentan-2-amine
PubChem CID62914728
Molecular FormulaC14H21BrFN
Molecular Weight302.23 g/mol
Exact Mass301.08
IUPAC Name3-[(4-bromo-2-fluorophenyl)methyl]-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(Cc1ccc(Br)cc1F)C(C)C
InChIInChI=1S/C14H21BrFN/c1-9(2)13(10(3)17-4)7-11-5-6-12(15)8-14(11)16/h5-6,8-10,13,17H,7H2,1-4H3
InChIKeyQKFRFEQHKLDUTI-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[(4-bromo-2-fluorophenyl)methyl]-N,4-dimethylpentan-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

1-(4-bromo-2-fluorophenyl)-N,3,3-trimethylbutan-2-amine
CID 62600037
1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine
CID 114906489
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43242831
1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62694239
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 115844618
3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 63401781
4-(4-bromo-2-fluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 81015367
3-(4-bromo-2-fluorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 79093587
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 55095249
2-[(4-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 55082719
3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 82920845
1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine
CID 62601740

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-fluorophenyl)methyl]-N,4-dimethylpentan-2-amine?
The IUPAC name of 3-[(4-bromo-2-fluorophenyl)methyl]-N,4-dimethylpentan-2-amine (CID 62914728) is 3-[(4-bromo-2-fluorophenyl)methyl]-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-[(4-bromo-2-fluorophenyl)methyl]-N,4-dimethylpentan-2-amine?
The canonical SMILES for 3-[(4-bromo-2-fluorophenyl)methyl]-N,4-dimethylpentan-2-amine is CNC(C)C(Cc1ccc(Br)cc1F)C(C)C.
What is the InChIKey of 3-[(4-bromo-2-fluorophenyl)methyl]-N,4-dimethylpentan-2-amine?
The InChIKey is QKFRFEQHKLDUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFN/c1-9(2)13(10(3)17-4)7-11-5-6-12(15)8-14(11)16/h5-6,8-10,13,17H,7H2,1-4H3.
What are the key properties of 3-[(4-bromo-2-fluorophenyl)methyl]-N,4-dimethylpentan-2-amine?
3-[(4-bromo-2-fluorophenyl)methyl]-N,4-dimethylpentan-2-amine has a molecular weight of 302.23 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-fluorophenyl)methyl]-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 62914728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).