N-[(2,4-dibromophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

C14H20Br2N2 — CID 107938811

IUPACN-[(2,4-dibromophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESBrc1ccc(CNCCCN2CCCC2)c(Br)c1
InChIInChI=1S/C14H20Br2N2/c15-13-5-4-12(14(16)10-13)11-17-6-3-9-18-7-1-2-8-18/h4-5,10,17H,1-3,6-9,11H2
InChIKeyCIGXAYGOGOFTIJ-UHFFFAOYSA-N
MW376.14 g/mol
LogP3.79
Rot. Bonds6

About N-[(2,4-dibromophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

N-[(2,4-dibromophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 107938811) has the molecular formula C14H20Br2N2 and a molecular weight of 376.14 g/mol. Its IUPAC name is N-[(2,4-dibromophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dibromophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID107938811
Molecular FormulaC14H20Br2N2
Molecular Weight376.14 g/mol
Exact Mass374.00
IUPAC NameN-[(2,4-dibromophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESBrc1ccc(CNCCCN2CCCC2)c(Br)c1
InChIInChI=1S/C14H20Br2N2/c15-13-5-4-12(14(16)10-13)11-17-6-3-9-18-7-1-2-8-18/h4-5,10,17H,1-3,6-9,11H2
InChIKeyCIGXAYGOGOFTIJ-UHFFFAOYSA-N
XLogP3.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromo-2-methylphenyl)methyl]-2-piperidin-1-ylethanamine
CID 112699271
N-[(5-bromo-2-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 113406182
N-[(3-bromo-2-fluorophenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 107951107
N-[(3-bromo-4-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 83235176
3-bromo-4-[(3-morpholin-4-ylpropylamino)methyl]benzoic acid
CID 103237317
N-[(2-bromo-4-nitrophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 55097567
N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679783
1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol
CID 110906464
N-[(2-bromophenyl)methyl]-3-piperazin-1-ylpropan-1-amine
CID 115230560
N-[(3-bromothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 115379805
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
N-[(5-bromothiophen-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28658161

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dibromophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[(2,4-dibromophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 107938811) is N-[(2,4-dibromophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(2,4-dibromophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(2,4-dibromophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is Brc1ccc(CNCCCN2CCCC2)c(Br)c1.
What is the InChIKey of N-[(2,4-dibromophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is CIGXAYGOGOFTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2/c15-13-5-4-12(14(16)10-13)11-17-6-3-9-18-7-1-2-8-18/h4-5,10,17H,1-3,6-9,11H2.
What are the key properties of N-[(2,4-dibromophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
N-[(2,4-dibromophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 376.14 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dibromophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 107938811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).