1-(2-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine

C16H26BrN3 — CID 79304236

IUPAC1-(2-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
SMILESCCN1CCCC1CN(C)C(CN)c1ccccc1Br
InChIInChI=1S/C16H26BrN3/c1-3-20-10-6-7-13(20)12-19(2)16(11-18)14-8-4-5-9-15(14)17/h4-5,8-9,13,16H,3,6-7,10-12,18H2,1-2H3
InChIKeyVVMXLIVSBOWCNM-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.87
Rot. Bonds6

About 1-(2-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine

1-(2-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine (PubChem CID 79304236) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
PubChem CID79304236
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name1-(2-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
SMILESCCN1CCCC1CN(C)C(CN)c1ccccc1Br
InChIInChI=1S/C16H26BrN3/c1-3-20-10-6-7-13(20)12-19(2)16(11-18)14-8-4-5-9-15(14)17/h4-5,8-9,13,16H,3,6-7,10-12,18H2,1-2H3
InChIKeyVVMXLIVSBOWCNM-UHFFFAOYSA-N
XLogP2.87
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79308718
1-(3,5-dichlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79308719
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 79304465
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-1-(2-methylphenyl)propane-1,2-diamine
CID 79304051
1-(2-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 55161280
2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 103959014
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 79302990
1-cyclopentyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79303331
(1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol
CID 79319401
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine
CID 79312886
2-bromo-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 60620479
N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine
CID 24694407

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-(2-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine (CID 79304236) is 1-(2-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine is CCN1CCCC1CN(C)C(CN)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine?
The InChIKey is VVMXLIVSBOWCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-3-20-10-6-7-13(20)12-19(2)16(11-18)14-8-4-5-9-15(14)17/h4-5,8-9,13,16H,3,6-7,10-12,18H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine?
1-(2-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine has a molecular weight of 340.31 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 79304236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).