N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine

C15H23BrN2O2 — CID 63300212

IUPACN-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
SMILESCCN(Cc1cc(OC)c(Br)cc1OC)C1CCNC1
InChIInChI=1S/C15H23BrN2O2/c1-4-18(12-5-6-17-9-12)10-11-7-15(20-3)13(16)8-14(11)19-2/h7-8,12,17H,4-6,9-10H2,1-3H3
InChIKeyQAKBILXPRLPJLL-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.65
Rot. Bonds6

About N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine

N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine (PubChem CID 63300212) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
PubChem CID63300212
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC NameN-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
SMILESCCN(Cc1cc(OC)c(Br)cc1OC)C1CCNC1
InChIInChI=1S/C15H23BrN2O2/c1-4-18(12-5-6-17-9-12)10-11-7-15(20-3)13(16)8-14(11)19-2/h7-8,12,17H,4-6,9-10H2,1-3H3
InChIKeyQAKBILXPRLPJLL-UHFFFAOYSA-N
XLogP2.65
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63304716
1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone
CID 63299582
5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204949
N-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-amine
CID 60807135
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204759
2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 63644353
N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63299763
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297828
N-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 63299916
2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol
CID 107699202
2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 63642755
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine?
The IUPAC name of N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine (CID 63300212) is N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine?
The canonical SMILES for N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine is CCN(Cc1cc(OC)c(Br)cc1OC)C1CCNC1.
What is the InChIKey of N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine?
The InChIKey is QAKBILXPRLPJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-4-18(12-5-6-17-9-12)10-11-7-15(20-3)13(16)8-14(11)19-2/h7-8,12,17H,4-6,9-10H2,1-3H3.
What are the key properties of N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine?
N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine has a molecular weight of 343.27 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 63300212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).