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

C16H23BrFN — CID 83138740

IUPACN-[2-[(3-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine
SMILESCC(C)(C)C(CNC1CC1)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C16H23BrFN/c1-16(2,3)12(10-19-15-4-5-15)6-11-7-13(17)9-14(18)8-11/h7-9,12,15,19H,4-6,10H2,1-3H3
InChIKeyMOPBZXKUTDVUIZ-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.55
Rot. Bonds5

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

N-[2-[(3-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine (PubChem CID 83138740) 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]-3,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine
PubChem CID83138740
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC NameN-[2-[(3-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine
SMILESCC(C)(C)C(CNC1CC1)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C16H23BrFN/c1-16(2,3)12(10-19-15-4-5-15)6-11-7-13(17)9-14(18)8-11/h7-9,12,15,19H,4-6,10H2,1-3H3
InChIKeyMOPBZXKUTDVUIZ-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(3-bromo-5-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
CID 79708694
N-[2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine
CID 83138940
N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83150975
N-[(3-bromo-5-fluorophenyl)methyl]-4-chlorocyclohexan-1-amine
CID 79708463
N-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine
CID 83138742
N-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017852
1-bromo-3-(3-bromo-2-cyclopentylpropyl)-5-fluorobenzene
CID 112570523
4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81017251
1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine
CID 105015590
1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
CID 105015690
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 79700039
N-[2-(3-bromo-5-fluorophenoxy)-3-methoxypropyl]cyclopropanamine
CID 103228884

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine (CID 83138740) is N-[2-[(3-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-bromo-5-fluorophenyl)methyl]-3,3-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]-3,3-dimethylbutyl]cyclopropanamine?
The InChIKey is MOPBZXKUTDVUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-16(2,3)12(10-19-15-4-5-15)6-11-7-13(17)9-14(18)8-11/h7-9,12,15,19H,4-6,10H2,1-3H3.
What are the key properties of N-[2-[(3-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine?
N-[2-[(3-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine has a molecular weight of 328.27 g/mol, XLogP of 4.55, 5 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]-3,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 83138740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).