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

C16H19ClN2 — CID 55086568

IUPAC1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
SMILESCCNC(Cc1cccnc1)Cc1ccccc1Cl
InChIInChI=1S/C16H19ClN2/c1-2-19-15(10-13-6-5-9-18-12-13)11-14-7-3-4-8-16(14)17/h3-9,12,15,19H,2,10-11H2,1H3
InChIKeyHRCYYYQHWVYYKX-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.50
Rot. Bonds6

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

1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine (PubChem CID 55086568) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
PubChem CID55086568
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
SMILESCCNC(Cc1cccnc1)Cc1ccccc1Cl
InChIInChI=1S/C16H19ClN2/c1-2-19-15(10-13-6-5-9-18-12-13)11-14-7-3-4-8-16(14)17/h3-9,12,15,19H,2,10-11H2,1H3
InChIKeyHRCYYYQHWVYYKX-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

1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 107308542
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 104736743
1-(2-chloro-4-methylphenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 106867485
1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551023
N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine
CID 62602849
1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 63415187
1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 63417051
1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62553243
N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-amine
CID 104793900
1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 106867781
1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 105034466
1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551546

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine (CID 55086568) is 1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine is CCNC(Cc1cccnc1)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
The InChIKey is HRCYYYQHWVYYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-2-19-15(10-13-6-5-9-18-12-13)11-14-7-3-4-8-16(14)17/h3-9,12,15,19H,2,10-11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
1-(2-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-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 55086568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).