2-(3,4-dichlorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine

C16H23Cl2N3 — CID 79166030

IUPAC2-(3,4-dichlorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
SMILESCN1C2CCC1CN(C(CN)c1ccc(Cl)c(Cl)c1)CC2
InChIInChI=1S/C16H23Cl2N3/c1-20-12-3-4-13(20)10-21(7-6-12)16(9-19)11-2-5-14(17)15(18)8-11/h2,5,8,12-13,16H,3-4,6-7,9-10,19H2,1H3
InChIKeyXIQJUZKIHKKQPJ-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.16
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine

2-(3,4-dichlorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine (PubChem CID 79166030) has the molecular formula C16H23Cl2N3 and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
PubChem CID79166030
Molecular FormulaC16H23Cl2N3
Molecular Weight328.29 g/mol
Exact Mass327.13
IUPAC Name2-(3,4-dichlorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
SMILESCN1C2CCC1CN(C(CN)c1ccc(Cl)c(Cl)c1)CC2
InChIInChI=1S/C16H23Cl2N3/c1-20-12-3-4-13(20)10-21(7-6-12)16(9-19)11-2-5-14(17)15(18)8-11/h2,5,8,12-13,16H,3-4,6-7,9-10,19H2,1H3
InChIKeyXIQJUZKIHKKQPJ-UHFFFAOYSA-N
XLogP3.16
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dichlorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine with MolForge

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Related Compounds

2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine
CID 79175124
2-(4-fluorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79175047
2-(3-fluorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79174272
2-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanamine
CID 61441053
2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 55248238
2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 103569678
2-(3,4-dichlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 43105682
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine
CID 79174673
2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54881976
2-(4-bromothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79175202
1-[2-amino-1-(3,4-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464318
2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171544

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine (CID 79166030) is 2-(3,4-dichlorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine is CN1C2CCC1CN(C(CN)c1ccc(Cl)c(Cl)c1)CC2.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine?
The InChIKey is XIQJUZKIHKKQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3/c1-20-12-3-4-13(20)10-21(7-6-12)16(9-19)11-2-5-14(17)15(18)8-11/h2,5,8,12-13,16H,3-4,6-7,9-10,19H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine?
2-(3,4-dichlorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine has a molecular weight of 328.29 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine is sourced from PubChem (CID 79166030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).