N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine

C15H21BrN2O — CID 103535831

IUPACN-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCOC1CCN(c2cc(Br)ccc2CNC2CC2)C1
InChIInChI=1S/C15H21BrN2O/c1-19-14-6-7-18(10-14)15-8-12(16)3-2-11(15)9-17-13-4-5-13/h2-3,8,13-14,17H,4-7,9-10H2,1H3
InChIKeyYNWLTRKGFZJXEY-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.93
Rot. Bonds5

About N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine

N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 103535831) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID103535831
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCOC1CCN(c2cc(Br)ccc2CNC2CC2)C1
InChIInChI=1S/C15H21BrN2O/c1-19-14-6-7-18(10-14)15-8-12(16)3-2-11(15)9-17-13-4-5-13/h2-3,8,13-14,17H,4-7,9-10H2,1H3
InChIKeyYNWLTRKGFZJXEY-UHFFFAOYSA-N
XLogP2.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]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-[[4-bromo-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]cyclopropanamine
CID 64597589
1-[5-bromo-2-(chloromethyl)phenyl]-3-methoxypiperidine
CID 102965866
1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-4-amine
CID 43586310
[4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol
CID 102960035
N-[[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 43373114
1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836686
N-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 103535835
N-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine
CID 170453756
N-[[4-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 103535869
N-[[4-bromo-2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]cyclopropanamine
CID 62205571
1-[4-bromo-2-(4-ethoxypiperidin-1-yl)phenyl]-N-methylmethanamine
CID 61215787
1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol
CID 103356996

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine (CID 103535831) is N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine is COC1CCN(c2cc(Br)ccc2CNC2CC2)C1.
What is the InChIKey of N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is YNWLTRKGFZJXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-19-14-6-7-18(10-14)15-8-12(16)3-2-11(15)9-17-13-4-5-13/h2-3,8,13-14,17H,4-7,9-10H2,1H3.
What are the key properties of N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine?
N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 325.25 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 103535831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).