N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine

C15H23BrN2O — CID 60883674

IUPACN-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Br)ccc1OCCN1CCCC1
InChIInChI=1S/C15H23BrN2O/c1-2-17-12-13-11-14(16)5-6-15(13)19-10-9-18-7-3-4-8-18/h5-6,11,17H,2-4,7-10,12H2,1H3
InChIKeyWEUBNPNBVUCOGT-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.03
Rot. Bonds7

About N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine

N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine (PubChem CID 60883674) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine
PubChem CID60883674
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Br)ccc1OCCN1CCCC1
InChIInChI=1S/C15H23BrN2O/c1-2-17-12-13-11-14(16)5-6-15(13)19-10-9-18-7-3-4-8-18/h5-6,11,17H,2-4,7-10,12H2,1H3
InChIKeyWEUBNPNBVUCOGT-UHFFFAOYSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60878304
N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61493816
N-[[5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 115961189
N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292192
1-[2-(4-bromo-2-methylphenoxy)ethyl]piperidine
CID 803338
2-[2-[4-bromo-2-(ethylaminomethyl)phenoxy]ethoxy]ethanol
CID 61069948
N-[[5-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]ethanamine
CID 112588014
N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62438685
1-(5-bromo-2-propoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884481
N-[[5-bromo-2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
CID 65158825
1-[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60878143
(1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 78937362

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine (CID 60883674) is N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine is CCNCc1cc(Br)ccc1OCCN1CCCC1.
What is the InChIKey of N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine?
The InChIKey is WEUBNPNBVUCOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-2-17-12-13-11-14(16)5-6-15(13)19-10-9-18-7-3-4-8-18/h5-6,11,17H,2-4,7-10,12H2,1H3.
What are the key properties of N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine?
N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine has a molecular weight of 327.27 g/mol, XLogP of 3.03, 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-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 60883674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).