N-[2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine

C16H23BrFN — CID 63497972

IUPACN-[2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
SMILESCC(C)CC(CNC1CC1)Cc1cc(Br)ccc1F
InChIInChI=1S/C16H23BrFN/c1-11(2)7-12(10-19-15-4-5-15)8-13-9-14(17)3-6-16(13)18/h3,6,9,11-12,15,19H,4-5,7-8,10H2,1-2H3
InChIKeyVMIIQBGAFBGMHH-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.55
Rot. Bonds7

About N-[2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine

N-[2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine (PubChem CID 63497972) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is N-[2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
PubChem CID63497972
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC NameN-[2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
SMILESCC(C)CC(CNC1CC1)Cc1cc(Br)ccc1F
InChIInChI=1S/C16H23BrFN/c1-11(2)7-12(10-19-15-4-5-15)8-13-9-14(17)3-6-16(13)18/h3,6,9,11-12,15,19H,4-5,7-8,10H2,1-2H3
InChIKeyVMIIQBGAFBGMHH-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentyl]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-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 62528286
2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol
CID 66059383
N-[2-[(3-bromo-5-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
CID 79708694
N-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
CID 102858662
N-[(5-bromo-2-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091603
2-[(4-bromo-2-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63498493
N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine
CID 62530308
N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079881
N-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine
CID 113471444
2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine
CID 62600408
N-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine
CID 115926774
N-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61221751

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine?
The IUPAC name of N-[2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine (CID 63497972) is N-[2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine?
The canonical SMILES for N-[2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine is CC(C)CC(CNC1CC1)Cc1cc(Br)ccc1F.
What is the InChIKey of N-[2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine?
The InChIKey is VMIIQBGAFBGMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-11(2)7-12(10-19-15-4-5-15)8-13-9-14(17)3-6-16(13)18/h3,6,9,11-12,15,19H,4-5,7-8,10H2,1-2H3.
What are the key properties of N-[2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine?
N-[2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine has a molecular weight of 328.27 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine is sourced from PubChem (CID 63497972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).