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

C13H19BrFN — CID 79706560

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-N-methylpentan-3-amine
SMILESCCC(CC)N(C)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C13H19BrFN/c1-4-13(5-2)16(3)9-10-6-11(14)8-12(15)7-10/h6-8,13H,4-5,9H2,1-3H3
InChIKeyVOJUJWTVNOROPS-UHFFFAOYSA-N
MW288.20 g/mol
LogP4.21
Rot. Bonds5

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

N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpentan-3-amine (PubChem CID 79706560) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-N-methylpentan-3-amine
PubChem CID79706560
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-N-methylpentan-3-amine
SMILESCCC(CC)N(C)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C13H19BrFN/c1-4-13(5-2)16(3)9-10-6-11(14)8-12(15)7-10/h6-8,13H,4-5,9H2,1-3H3
InChIKeyVOJUJWTVNOROPS-UHFFFAOYSA-N
XLogP4.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-[(3-bromo-5-fluorophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924830
2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 80666711
N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79707012
N'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 79706521
N'-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 79706916
2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine
CID 171396178
3-[(3-bromo-5-fluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 79701588
1-(3-bromo-5-fluorophenyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylmethanamine
CID 79706654
N-[(3-bromo-5-fluorophenyl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 79673320
2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol
CID 79673319
N'-[(3-bromo-5-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79702116
2-[(3-bromo-5-fluorophenyl)methylamino]butan-1-ol
CID 79710759

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpentan-3-amine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpentan-3-amine (CID 79706560) is N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpentan-3-amine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpentan-3-amine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpentan-3-amine is CCC(CC)N(C)Cc1cc(F)cc(Br)c1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpentan-3-amine?
The InChIKey is VOJUJWTVNOROPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-4-13(5-2)16(3)9-10-6-11(14)8-12(15)7-10/h6-8,13H,4-5,9H2,1-3H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpentan-3-amine?
N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpentan-3-amine has a molecular weight of 288.20 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpentan-3-amine is sourced from PubChem (CID 79706560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).