N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine

C15H20BrFN2 — CID 115713126

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
SMILESCC1CC(NCc2cc(F)ccc2Br)CN1C1CC1
InChIInChI=1S/C15H20BrFN2/c1-10-6-13(9-19(10)14-3-4-14)18-8-11-7-12(17)2-5-15(11)16/h2,5,7,10,13-14,18H,3-4,6,8-9H2,1H3
InChIKeyUJGQWVVRIFHUOY-UHFFFAOYSA-N
MW327.24 g/mol
LogP3.30
Rot. Bonds4

About N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine

N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine (PubChem CID 115713126) has the molecular formula C15H20BrFN2 and a molecular weight of 327.24 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
PubChem CID115713126
Molecular FormulaC15H20BrFN2
Molecular Weight327.24 g/mol
Exact Mass326.08
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
SMILESCC1CC(NCc2cc(F)ccc2Br)CN1C1CC1
InChIInChI=1S/C15H20BrFN2/c1-10-6-13(9-19(10)14-3-4-14)18-8-11-7-12(17)2-5-15(11)16/h2,5,7,10,13-14,18H,3-4,6,8-9H2,1H3
InChIKeyUJGQWVVRIFHUOY-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine 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-bromo-5-fluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64746999
N-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115685137
1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-amine
CID 115704320
N-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine
CID 115777600
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115685133
1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine
CID 115708354
N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63452721
N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 103866090
1-(3-chloro-5-fluorophenyl)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]ethanol
CID 154780291
4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 115715680
N-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115688251
N-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine
CID 114817509

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine (CID 115713126) is N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine is CC1CC(NCc2cc(F)ccc2Br)CN1C1CC1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine?
The InChIKey is UJGQWVVRIFHUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2/c1-10-6-13(9-19(10)14-3-4-14)18-8-11-7-12(17)2-5-15(11)16/h2,5,7,10,13-14,18H,3-4,6,8-9H2,1H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine?
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine has a molecular weight of 327.24 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 115713126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).