1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine

C17H20Cl2N2 — CID 105136549

IUPAC1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
SMILESCCNC(CCc1ccccn1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H20Cl2N2/c1-2-20-15(8-7-14-5-3-4-10-21-14)11-13-6-9-16(18)17(19)12-13/h3-6,9-10,12,15,20H,2,7-8,11H2,1H3
InChIKeyCXSPDLGVBAALKN-UHFFFAOYSA-N
MW323.27 g/mol
LogP4.54
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine

1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine (PubChem CID 105136549) has the molecular formula C17H20Cl2N2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
PubChem CID105136549
Molecular FormulaC17H20Cl2N2
Molecular Weight323.27 g/mol
Exact Mass322.10
IUPAC Name1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
SMILESCCNC(CCc1ccccn1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H20Cl2N2/c1-2-20-15(8-7-14-5-3-4-10-21-14)11-13-6-9-16(18)17(19)12-13/h3-6,9-10,12,15,20H,2,7-8,11H2,1H3
InChIKeyCXSPDLGVBAALKN-UHFFFAOYSA-N
XLogP4.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105190483
1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 62604166
1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105174638
1-(2-chloro-3-fluorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105178944
N-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine
CID 105136068
1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105087681
N-ethyl-4-pyridin-2-yl-1-thiophen-2-ylbutan-2-amine
CID 105134313
N-ethyl-1-pyridin-2-yloctan-3-amine
CID 105129891
1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143571
1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105139574
N-ethyl-6-methyl-1-pyridin-2-ylhept-6-en-3-amine
CID 105182655
1-(3-chloro-4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine
CID 103039837

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine (CID 105136549) is 1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine is CCNC(CCc1ccccn1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine?
The InChIKey is CXSPDLGVBAALKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2/c1-2-20-15(8-7-14-5-3-4-10-21-14)11-13-6-9-16(18)17(19)12-13/h3-6,9-10,12,15,20H,2,7-8,11H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine?
1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine has a molecular weight of 323.27 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 105136549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).