N-[(3-bromophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine

C14H21BrN2 — CID 10085970

IUPACN-[(3-bromophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCN(CCN1CCCC1)Cc1cccc(Br)c1
InChIInChI=1S/C14H21BrN2/c1-16(9-10-17-7-2-3-8-17)12-13-5-4-6-14(15)11-13/h4-6,11H,2-3,7-10,12H2,1H3
InChIKeyZBZZWPSKPIVFNA-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.98
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine

N-[(3-bromophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine (PubChem CID 10085970) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
PubChem CID10085970
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC NameN-[(3-bromophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCN(CCN1CCCC1)Cc1cccc(Br)c1
InChIInChI=1S/C14H21BrN2/c1-16(9-10-17-7-2-3-8-17)12-13-5-4-6-14(15)11-13/h4-6,11H,2-3,7-10,12H2,1H3
InChIKeyZBZZWPSKPIVFNA-UHFFFAOYSA-N
XLogP2.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine (CID 10085970) is N-[(3-bromophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine is CN(CCN1CCCC1)Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is ZBZZWPSKPIVFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-16(9-10-17-7-2-3-8-17)12-13-5-4-6-14(15)11-13/h4-6,11H,2-3,7-10,12H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
N-[(3-bromophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 297.24 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 10085970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).