1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine

C16H19ClN2 — CID 62551023

IUPAC1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1)Cc1cccnc1
InChIInChI=1S/C16H19ClN2/c1-2-19-16(11-14-4-3-9-18-12-14)10-13-5-7-15(17)8-6-13/h3-9,12,16,19H,2,10-11H2,1H3
InChIKeyQTBJLKSSVVLNHO-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.50
Rot. Bonds6

About 1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine

1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine (PubChem CID 62551023) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
PubChem CID62551023
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1)Cc1cccnc1
InChIInChI=1S/C16H19ClN2/c1-2-19-16(11-14-4-3-9-18-12-14)10-13-5-7-15(17)8-6-13/h3-9,12,16,19H,2,10-11H2,1H3
InChIKeyQTBJLKSSVVLNHO-UHFFFAOYSA-N
XLogP3.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine
CID 62602849
1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 104736457
1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 55086568
1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 107308542
1-(2-chloro-4-methylphenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 106867485
1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62553243
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 104736743
1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551546
N-ethyl-1-pyridin-3-ylpent-4-en-2-amine
CID 62551025
N-ethyl-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736340
N-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736344
1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62551911

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine (CID 62551023) is 1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine is CCNC(Cc1ccc(Cl)cc1)Cc1cccnc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
The InChIKey is QTBJLKSSVVLNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-2-19-16(11-14-4-3-9-18-12-14)10-13-5-7-15(17)8-6-13/h3-9,12,16,19H,2,10-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine has a molecular weight of 274.80 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 62551023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).