N'-[1-(3-bromo-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine

C15H22BrFN2 — CID 169245569

IUPACN'-[1-(3-bromo-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine
SMILESCC(C)C(c1cccc(Br)c1F)N(CCN)C1CC1
InChIInChI=1S/C15H22BrFN2/c1-10(2)15(19(9-8-18)11-6-7-11)12-4-3-5-13(16)14(12)17/h3-5,10-11,15H,6-9,18H2,1-2H3
InChIKeyNGKSPLVMNUFZPZ-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.71
Rot. Bonds6

About N'-[1-(3-bromo-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine

N'-[1-(3-bromo-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine (PubChem CID 169245569) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is N'-[1-(3-bromo-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(3-bromo-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine
PubChem CID169245569
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC NameN'-[1-(3-bromo-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine
SMILESCC(C)C(c1cccc(Br)c1F)N(CCN)C1CC1
InChIInChI=1S/C15H22BrFN2/c1-10(2)15(19(9-8-18)11-6-7-11)12-4-3-5-13(16)14(12)17/h3-5,10-11,15H,6-9,18H2,1-2H3
InChIKeyNGKSPLVMNUFZPZ-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-bromo-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine?
The IUPAC name of N'-[1-(3-bromo-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine (CID 169245569) is N'-[1-(3-bromo-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(3-bromo-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine?
The canonical SMILES for N'-[1-(3-bromo-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine is CC(C)C(c1cccc(Br)c1F)N(CCN)C1CC1.
What is the InChIKey of N'-[1-(3-bromo-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine?
The InChIKey is NGKSPLVMNUFZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-10(2)15(19(9-8-18)11-6-7-11)12-4-3-5-13(16)14(12)17/h3-5,10-11,15H,6-9,18H2,1-2H3.
What are the key properties of N'-[1-(3-bromo-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine?
N'-[1-(3-bromo-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine has a molecular weight of 329.26 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-bromo-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 169245569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).