N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]-2-methylbutane-1,4-diamine

C15H24BrFN2 — CID 115203524

IUPACN'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]-2-methylbutane-1,4-diamine
SMILESCC(CN)CCNCC(C)(C)c1cc(Br)ccc1F
InChIInChI=1S/C15H24BrFN2/c1-11(9-18)6-7-19-10-15(2,3)13-8-12(16)4-5-14(13)17/h4-5,8,11,19H,6-7,9-10,18H2,1-3H3
InChIKeyUNHCBCVATXFJGH-UHFFFAOYSA-N
MW331.27 g/mol
LogP3.44
Rot. Bonds7

About N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]-2-methylbutane-1,4-diamine

N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]-2-methylbutane-1,4-diamine (PubChem CID 115203524) has the molecular formula C15H24BrFN2 and a molecular weight of 331.27 g/mol. Its IUPAC name is N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]-2-methylbutane-1,4-diamine
PubChem CID115203524
Molecular FormulaC15H24BrFN2
Molecular Weight331.27 g/mol
Exact Mass330.11
IUPAC NameN'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]-2-methylbutane-1,4-diamine
SMILESCC(CN)CCNCC(C)(C)c1cc(Br)ccc1F
InChIInChI=1S/C15H24BrFN2/c1-11(9-18)6-7-19-10-15(2,3)13-8-12(16)4-5-14(13)17/h4-5,8,11,19H,6-7,9-10,18H2,1-3H3
InChIKeyUNHCBCVATXFJGH-UHFFFAOYSA-N
XLogP3.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197606
3-N-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120210
2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine
CID 115262615
1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol
CID 115137230
2-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]acetaldehyde
CID 115223587
N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutane-1,4-diamine
CID 115203523
1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]propan-2-one
CID 115235320
N'-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutane-1,4-diamine
CID 115203520
4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene
CID 79739124
4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 79739119
2-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropanenitrile
CID 115129813
2-methyl-N'-(2-methyl-2-pyridin-2-ylpropyl)butane-1,4-diamine
CID 115203531

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]-2-methylbutane-1,4-diamine?
The IUPAC name of N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]-2-methylbutane-1,4-diamine (CID 115203524) is N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]-2-methylbutane-1,4-diamine.
What is the SMILES notation for N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]-2-methylbutane-1,4-diamine?
The canonical SMILES for N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]-2-methylbutane-1,4-diamine is CC(CN)CCNCC(C)(C)c1cc(Br)ccc1F.
What is the InChIKey of N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]-2-methylbutane-1,4-diamine?
The InChIKey is UNHCBCVATXFJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrFN2/c1-11(9-18)6-7-19-10-15(2,3)13-8-12(16)4-5-14(13)17/h4-5,8,11,19H,6-7,9-10,18H2,1-3H3.
What are the key properties of N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]-2-methylbutane-1,4-diamine?
N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]-2-methylbutane-1,4-diamine has a molecular weight of 331.27 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]-2-methylbutane-1,4-diamine is sourced from PubChem (CID 115203524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).