N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine

C20H24BrFN2O — CID 55378168

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
SMILESCOc1cccc(C(CNCc2cc(Br)ccc2F)N2CCCC2)c1
InChIInChI=1S/C20H24BrFN2O/c1-25-18-6-4-5-15(12-18)20(24-9-2-3-10-24)14-23-13-16-11-17(21)7-8-19(16)22/h4-8,11-12,20,23H,2-3,9-10,13-14H2,1H3
InChIKeyBIVBFTYQNBLZFL-UHFFFAOYSA-N
MW407.33 g/mol
LogP4.52
Rot. Bonds7

About N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine

N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 55378168) has the molecular formula C20H24BrFN2O and a molecular weight of 407.33 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
PubChem CID55378168
Molecular FormulaC20H24BrFN2O
Molecular Weight407.33 g/mol
Exact Mass406.11
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
SMILESCOc1cccc(C(CNCc2cc(Br)ccc2F)N2CCCC2)c1
InChIInChI=1S/C20H24BrFN2O/c1-25-18-6-4-5-15(12-18)20(24-9-2-3-10-24)14-23-13-16-11-17(21)7-8-19(16)22/h4-8,11-12,20,23H,2-3,9-10,13-14H2,1H3
InChIKeyBIVBFTYQNBLZFL-UHFFFAOYSA-N
XLogP4.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.33
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 47008151
N-[(2,4-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 55378412
2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 55464306
3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005762
3-[[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methyl]benzoic acid
CID 122030109
2,6-difluoro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 134017321
2-(3-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 60590030
1-[(5-cyano-2-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111498707
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
2-(4-bromophenoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 43003277
2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 110826413
2-(2,5-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 78822011

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine (CID 55378168) is N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine is COc1cccc(C(CNCc2cc(Br)ccc2F)N2CCCC2)c1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is BIVBFTYQNBLZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrFN2O/c1-25-18-6-4-5-15(12-18)20(24-9-2-3-10-24)14-23-13-16-11-17(21)7-8-19(16)22/h4-8,11-12,20,23H,2-3,9-10,13-14H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine?
N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 407.33 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 55378168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).