1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine

C13H19BrFN — CID 79702857

IUPAC1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine
SMILESCCC(NC)C(C)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C13H19BrFN/c1-4-13(16-3)9(2)5-10-6-11(14)8-12(15)7-10/h6-9,13,16H,4-5H2,1-3H3
InChIKeyDDXDISYAEVLODI-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.76
Rot. Bonds5

About 1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine

1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine (PubChem CID 79702857) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine
PubChem CID79702857
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine
SMILESCCC(NC)C(C)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C13H19BrFN/c1-4-13(16-3)9(2)5-10-6-11(14)8-12(15)7-10/h6-9,13,16H,4-5H2,1-3H3
InChIKeyDDXDISYAEVLODI-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
CID 105015690
1-(4-bromophenyl)-N,2-dimethylpentan-3-amine
CID 63560195
3-(3-bromo-5-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
CID 104845358
1-(3-bromo-5-fluorophenyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine
CID 79709704
4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81017251
3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol
CID 79709487
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015619
1-(3-bromo-5-fluorophenyl)-3-ethylpentan-2-ol
CID 79703019
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylbutan-1-amine
CID 79708448
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 79700039
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 79709055
3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
CID 116772571

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine (CID 79702857) is 1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine is CCC(NC)C(C)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine?
The InChIKey is DDXDISYAEVLODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-4-13(16-3)9(2)5-10-6-11(14)8-12(15)7-10/h6-9,13,16H,4-5H2,1-3H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine?
1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine has a molecular weight of 288.20 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine is sourced from PubChem (CID 79702857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).