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

C16H25BrN2O2 — CID 63304716

IUPACN-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1cc(OC)c(Br)cc1OC)C1CCNC1
InChIInChI=1S/C16H25BrN2O2/c1-4-7-19(13-5-6-18-10-13)11-12-8-16(21-3)14(17)9-15(12)20-2/h8-9,13,18H,4-7,10-11H2,1-3H3
InChIKeyIBWSLADKCCHWSK-UHFFFAOYSA-N
MW357.29 g/mol
LogP3.04
Rot. Bonds7

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

N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine (PubChem CID 63304716) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
PubChem CID63304716
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC NameN-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1cc(OC)c(Br)cc1OC)C1CCNC1
InChIInChI=1S/C16H25BrN2O2/c1-4-7-19(13-5-6-18-10-13)11-12-8-16(21-3)14(17)9-15(12)20-2/h8-9,13,18H,4-7,10-11H2,1-3H3
InChIKeyIBWSLADKCCHWSK-UHFFFAOYSA-N
XLogP3.04
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63300212
N-[(2-methoxy-5-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63304118
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921716
N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300946
N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 113499913
N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63636123
N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300786
N-[(4-bromo-3-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 81436109
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-propylpyrrolidin-3-amine
CID 102841648
N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119933025
2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol
CID 63637767
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297828

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine (CID 63304716) is N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine is CCCN(Cc1cc(OC)c(Br)cc1OC)C1CCNC1.
What is the InChIKey of N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine?
The InChIKey is IBWSLADKCCHWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-4-7-19(13-5-6-18-10-13)11-12-8-16(21-3)14(17)9-15(12)20-2/h8-9,13,18H,4-7,10-11H2,1-3H3.
What are the key properties of N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine?
N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine has a molecular weight of 357.29 g/mol, XLogP of 3.04, 7 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-propylpyrrolidin-3-amine is sourced from PubChem (CID 63304716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).