N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine

C14H20Br2N2 — CID 113499913

IUPACN-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1ccc(Br)c(Br)c1)C1CCNC1
InChIInChI=1S/C14H20Br2N2/c1-2-7-18(12-5-6-17-9-12)10-11-3-4-13(15)14(16)8-11/h3-4,8,12,17H,2,5-7,9-10H2,1H3
InChIKeySUNISCDCNHWTHR-UHFFFAOYSA-N
MW376.14 g/mol
LogP3.79
Rot. Bonds5

About N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine

N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine (PubChem CID 113499913) has the molecular formula C14H20Br2N2 and a molecular weight of 376.14 g/mol. Its IUPAC name is N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine
PubChem CID113499913
Molecular FormulaC14H20Br2N2
Molecular Weight376.14 g/mol
Exact Mass374.00
IUPAC NameN-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1ccc(Br)c(Br)c1)C1CCNC1
InChIInChI=1S/C14H20Br2N2/c1-2-7-18(12-5-6-17-9-12)10-11-3-4-13(15)14(16)8-11/h3-4,8,12,17H,2,5-7,9-10H2,1H3
InChIKeySUNISCDCNHWTHR-UHFFFAOYSA-N
XLogP3.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.14
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 81436109
N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine
CID 66480396
4-[[propyl(pyrrolidin-3-yl)amino]methyl]benzene-1,2-diol
CID 55204580
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569
N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921462
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63301041
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921716
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 106264854
N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300946
N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300619
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-propylpyrrolidin-3-amine
CID 102841648

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine (CID 113499913) is N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine is CCCN(Cc1ccc(Br)c(Br)c1)C1CCNC1.
What is the InChIKey of N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine?
The InChIKey is SUNISCDCNHWTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2/c1-2-7-18(12-5-6-17-9-12)10-11-3-4-13(15)14(16)8-11/h3-4,8,12,17H,2,5-7,9-10H2,1H3.
What are the key properties of N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine?
N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine has a molecular weight of 376.14 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 113499913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).