4-chloro-N-[1-(4-propylphenyl)ethyl]pyridin-3-amine

C16H19ClN2 — CID 83166730

IUPAC4-chloro-N-[1-(4-propylphenyl)ethyl]pyridin-3-amine
SMILESCCCc1ccc(C(C)Nc2cnccc2Cl)cc1
InChIInChI=1S/C16H19ClN2/c1-3-4-13-5-7-14(8-6-13)12(2)19-16-11-18-10-9-15(16)17/h5-12,19H,3-4H2,1-2H3
InChIKeyUGAUMISNQJCWRR-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.86
Rot. Bonds5

About 4-chloro-N-[1-(4-propylphenyl)ethyl]pyridin-3-amine

4-chloro-N-[1-(4-propylphenyl)ethyl]pyridin-3-amine (PubChem CID 83166730) has the molecular formula C16H19ClN2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-propylphenyl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-[1-(4-propylphenyl)ethyl]pyridin-3-amine
PubChem CID83166730
Molecular FormulaC16H19ClN2
Molecular Weight274.79 g/mol
Exact Mass274.12
IUPAC Name4-chloro-N-[1-(4-propylphenyl)ethyl]pyridin-3-amine
SMILESCCCc1ccc(C(C)Nc2cnccc2Cl)cc1
InChIInChI=1S/C16H19ClN2/c1-3-4-13-5-7-14(8-6-13)12(2)19-16-11-18-10-9-15(16)17/h5-12,19H,3-4H2,1-2H3
InChIKeyUGAUMISNQJCWRR-UHFFFAOYSA-N
XLogP4.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine
CID 83164376
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine
CID 83164219
2,5-dichloro-4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 104726147
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-chloropyridin-4-amine
CID 79841475
N-[1-(4-ethylphenyl)ethyl]-4-methylpyridin-3-amine
CID 63329919
4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine
CID 83165925
1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 105144427
4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43098857
4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol
CID 83166530
3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine
CID 79839779
4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline
CID 107621050
N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine
CID 43109909

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-propylphenyl)ethyl]pyridin-3-amine?
The IUPAC name of 4-chloro-N-[1-(4-propylphenyl)ethyl]pyridin-3-amine (CID 83166730) is 4-chloro-N-[1-(4-propylphenyl)ethyl]pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-[1-(4-propylphenyl)ethyl]pyridin-3-amine?
The canonical SMILES for 4-chloro-N-[1-(4-propylphenyl)ethyl]pyridin-3-amine is CCCc1ccc(C(C)Nc2cnccc2Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-propylphenyl)ethyl]pyridin-3-amine?
The InChIKey is UGAUMISNQJCWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-3-4-13-5-7-14(8-6-13)12(2)19-16-11-18-10-9-15(16)17/h5-12,19H,3-4H2,1-2H3.
What are the key properties of 4-chloro-N-[1-(4-propylphenyl)ethyl]pyridin-3-amine?
4-chloro-N-[1-(4-propylphenyl)ethyl]pyridin-3-amine has a molecular weight of 274.79 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-propylphenyl)ethyl]pyridin-3-amine is sourced from PubChem (CID 83166730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).