N-[4-(4-bromo-2-fluorophenyl)-3,3-dimethylbutyl]cyclopropanamine

C15H21BrFN — CID 81023434

IUPACN-[4-(4-bromo-2-fluorophenyl)-3,3-dimethylbutyl]cyclopropanamine
SMILESCC(C)(CCNC1CC1)Cc1ccc(Br)cc1F
InChIInChI=1S/C15H21BrFN/c1-15(2,7-8-18-13-5-6-13)10-11-3-4-12(16)9-14(11)17/h3-4,9,13,18H,5-8,10H2,1-2H3
InChIKeyYRNONQQCXBFJPB-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.30
Rot. Bonds6

About N-[4-(4-bromo-2-fluorophenyl)-3,3-dimethylbutyl]cyclopropanamine

N-[4-(4-bromo-2-fluorophenyl)-3,3-dimethylbutyl]cyclopropanamine (PubChem CID 81023434) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is N-[4-(4-bromo-2-fluorophenyl)-3,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(4-bromo-2-fluorophenyl)-3,3-dimethylbutyl]cyclopropanamine
PubChem CID81023434
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC NameN-[4-(4-bromo-2-fluorophenyl)-3,3-dimethylbutyl]cyclopropanamine
SMILESCC(C)(CCNC1CC1)Cc1ccc(Br)cc1F
InChIInChI=1S/C15H21BrFN/c1-15(2,7-8-18-13-5-6-13)10-11-3-4-12(16)9-14(11)17/h3-4,9,13,18H,5-8,10H2,1-2H3
InChIKeyYRNONQQCXBFJPB-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-2-fluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 115619711
N-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023564
3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 62726356
4-bromo-1-(4-chloro-2,2-dimethylpentyl)-2-fluorobenzene
CID 64718322
N-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine
CID 115926774
3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine
CID 112565168
N-[3-(3-bromo-2-fluorophenyl)-3-methylbutyl]cyclopropanamine
CID 106646987
1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224288
1-(4-bromo-2-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 55187150
N-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine
CID 55077009
2-[(4-bromo-2-fluorophenyl)methyl]-2-methylpentan-1-amine
CID 62723295
4-bromo-1-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-2-fluorobenzene
CID 112571141

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromo-2-fluorophenyl)-3,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(4-bromo-2-fluorophenyl)-3,3-dimethylbutyl]cyclopropanamine (CID 81023434) is N-[4-(4-bromo-2-fluorophenyl)-3,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(4-bromo-2-fluorophenyl)-3,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(4-bromo-2-fluorophenyl)-3,3-dimethylbutyl]cyclopropanamine is CC(C)(CCNC1CC1)Cc1ccc(Br)cc1F.
What is the InChIKey of N-[4-(4-bromo-2-fluorophenyl)-3,3-dimethylbutyl]cyclopropanamine?
The InChIKey is YRNONQQCXBFJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-15(2,7-8-18-13-5-6-13)10-11-3-4-12(16)9-14(11)17/h3-4,9,13,18H,5-8,10H2,1-2H3.
What are the key properties of N-[4-(4-bromo-2-fluorophenyl)-3,3-dimethylbutyl]cyclopropanamine?
N-[4-(4-bromo-2-fluorophenyl)-3,3-dimethylbutyl]cyclopropanamine has a molecular weight of 314.24 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromo-2-fluorophenyl)-3,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 81023434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).