N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine

C16H23BrFN — CID 83150975

IUPACN-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
SMILESCC(C)C(C)(CNC1CC1)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C16H23BrFN/c1-11(2)16(3,10-19-15-4-5-15)9-12-6-13(17)8-14(18)7-12/h6-8,11,15,19H,4-5,9-10H2,1-3H3
InChIKeyQEHGCYOLUSCHLO-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.55
Rot. Bonds6

About N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine

N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine (PubChem CID 83150975) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
PubChem CID83150975
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC NameN-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
SMILESCC(C)C(C)(CNC1CC1)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C16H23BrFN/c1-11(2)16(3,10-19-15-4-5-15)9-12-6-13(17)8-14(18)7-12/h6-8,11,15,19H,4-5,9-10H2,1-3H3
InChIKeyQEHGCYOLUSCHLO-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 83160212
N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 107897591
N-[2-[(3-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine
CID 83138740
N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine
CID 83150966
1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine
CID 79702565
N-[2-[(3-bromo-5-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
CID 79708694
N-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 106869645
3-(3-bromo-5-fluorophenyl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine
CID 83159708
N-[(3-bromo-5-fluorophenyl)methyl]-4-chlorocyclohexan-1-amine
CID 79708463
2-[(3-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 79709505
N-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017852
3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83150924

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine (CID 83150975) is N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine is CC(C)C(C)(CNC1CC1)Cc1cc(F)cc(Br)c1.
What is the InChIKey of N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
The InChIKey is QEHGCYOLUSCHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-11(2)16(3,10-19-15-4-5-15)9-12-6-13(17)8-14(18)7-12/h6-8,11,15,19H,4-5,9-10H2,1-3H3.
What are the key properties of N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine has a molecular weight of 328.27 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 83150975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).