1-benzyl-N-[(4-bromophenyl)methyl]pyrrolidin-3-amine

C18H21BrN2 — CID 43221362

IUPAC1-benzyl-N-[(4-bromophenyl)methyl]pyrrolidin-3-amine
SMILESBrc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H21BrN2/c19-17-8-6-15(7-9-17)12-20-18-10-11-21(14-18)13-16-4-2-1-3-5-16/h1-9,18,20H,10-14H2
InChIKeyKAXBOKVMLFLTDR-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.81
Rot. Bonds5

About 1-benzyl-N-[(4-bromophenyl)methyl]pyrrolidin-3-amine

1-benzyl-N-[(4-bromophenyl)methyl]pyrrolidin-3-amine (PubChem CID 43221362) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-benzyl-N-[(4-bromophenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[(4-bromophenyl)methyl]pyrrolidin-3-amine
PubChem CID43221362
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name1-benzyl-N-[(4-bromophenyl)methyl]pyrrolidin-3-amine
SMILESBrc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H21BrN2/c19-17-8-6-15(7-9-17)12-20-18-10-11-21(14-18)13-16-4-2-1-3-5-16/h1-9,18,20H,10-14H2
InChIKeyKAXBOKVMLFLTDR-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-(2-Bromophenyl)-1-phenylethyl)piperazine
CID 44414750
N,N'-Dibenzyl-3-aminopyrrolidine
CID 14098325
1-[(4-Bromophenyl)methyl]piperazine
CID 876494
1-[(4-Bromophenyl)(phenyl)methyl]piperazine
CID 3704699
[2-(4-Bromo-phenyl)-1-methyl-ethyl]-(3-phenyl-propyl)-amine
CID 15061898
1-[(4-Bromophenyl)-phenylmethyl]-4-ethylpiperazine
CID 118119342
Benzenemethanamine, 4-bromo-N-butyl-
CID 485403
N-benzyl-1-(4-bromophenyl)methanamine
CID 3876431
2-(4-Bromophenyl)pyrrolidine
CID 4281494
N,N-Bis(4-bromobenzyl)amine
CID 10601487
N-[(3-bromophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 6456385
1-benzyl-N-[(4-fluorophenyl)methyl]pyrrolidin-3-amine
CID 43085117

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-bromophenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[(4-bromophenyl)methyl]pyrrolidin-3-amine (CID 43221362) is 1-benzyl-N-[(4-bromophenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[(4-bromophenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[(4-bromophenyl)methyl]pyrrolidin-3-amine is Brc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1.
What is the InChIKey of 1-benzyl-N-[(4-bromophenyl)methyl]pyrrolidin-3-amine?
The InChIKey is KAXBOKVMLFLTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c19-17-8-6-15(7-9-17)12-20-18-10-11-21(14-18)13-16-4-2-1-3-5-16/h1-9,18,20H,10-14H2.
What are the key properties of 1-benzyl-N-[(4-bromophenyl)methyl]pyrrolidin-3-amine?
1-benzyl-N-[(4-bromophenyl)methyl]pyrrolidin-3-amine has a molecular weight of 345.28 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-bromophenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 43221362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).