1-[(2-amino-6-bromophenyl)methyl]-N,N-diethylpyrrolidin-3-amine

C15H24BrN3 — CID 55159357

IUPAC1-[(2-amino-6-bromophenyl)methyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(Cc2c(N)cccc2Br)C1
InChIInChI=1S/C15H24BrN3/c1-3-19(4-2)12-8-9-18(10-12)11-13-14(16)6-5-7-15(13)17/h5-7,12H,3-4,8-11,17H2,1-2H3
InChIKeyWMOGSLJEJRAVCE-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.95
Rot. Bonds5

About 1-[(2-amino-6-bromophenyl)methyl]-N,N-diethylpyrrolidin-3-amine

1-[(2-amino-6-bromophenyl)methyl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 55159357) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[(2-amino-6-bromophenyl)methyl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(2-amino-6-bromophenyl)methyl]-N,N-diethylpyrrolidin-3-amine
PubChem CID55159357
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name1-[(2-amino-6-bromophenyl)methyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(Cc2c(N)cccc2Br)C1
InChIInChI=1S/C15H24BrN3/c1-3-19(4-2)12-8-9-18(10-12)11-13-14(16)6-5-7-15(13)17/h5-7,12H,3-4,8-11,17H2,1-2H3
InChIKeyWMOGSLJEJRAVCE-UHFFFAOYSA-N
XLogP2.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-amino-4-bromophenyl)methyl]-N,N-diethylpyrrolidin-3-amine
CID 115557189
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-bromoaniline
CID 43620149
N-[(2-amino-6-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 55004344
1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine
CID 63166878
2-(azocan-1-ylmethyl)-3-bromoaniline
CID 43349679
1-[(3-amino-4-methylphenyl)methyl]-N,N-diethylpyrrolidin-3-amine
CID 55224176
1-[(2-amino-6-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 43575533
2-[1-[(2-amino-6-bromophenyl)methyl]piperidin-4-yl]oxyethanol
CID 82696390
3-bromo-2-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 60973615
3-bromo-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline
CID 114462333
1-[(5-amino-2-chlorophenyl)methyl]-N,N-diethylpyrrolidin-3-amine
CID 63171749
4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 63165878

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-bromophenyl)methyl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[(2-amino-6-bromophenyl)methyl]-N,N-diethylpyrrolidin-3-amine (CID 55159357) is 1-[(2-amino-6-bromophenyl)methyl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(2-amino-6-bromophenyl)methyl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[(2-amino-6-bromophenyl)methyl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(Cc2c(N)cccc2Br)C1.
What is the InChIKey of 1-[(2-amino-6-bromophenyl)methyl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is WMOGSLJEJRAVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-3-19(4-2)12-8-9-18(10-12)11-13-14(16)6-5-7-15(13)17/h5-7,12H,3-4,8-11,17H2,1-2H3.
What are the key properties of 1-[(2-amino-6-bromophenyl)methyl]-N,N-diethylpyrrolidin-3-amine?
1-[(2-amino-6-bromophenyl)methyl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 326.28 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-bromophenyl)methyl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 55159357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).