1-(3-chloro-4-methylphenyl)-2-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)hydrazine

C14H21ClN3+ — CID 2347500

IUPAC1-(3-chloro-4-methylphenyl)-2-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)hydrazine
SMILESCC[NH+]1CC=C(NNc2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C14H20ClN3/c1-3-18-8-6-12(7-9-18)16-17-13-5-4-11(2)14(15)10-13/h4-6,10,16-17H,3,7-9H2,1-2H3/p+1
InChIKeyODNDEFILLXGZMX-UHFFFAOYSA-O
MW266.80 g/mol
LogP1.76
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-2-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)hydrazine

1-(3-chloro-4-methylphenyl)-2-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)hydrazine (PubChem CID 2347500) has the molecular formula C14H21ClN3+ and a molecular weight of 266.80 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)hydrazine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)hydrazine
PubChem CID2347500
Molecular FormulaC14H21ClN3+
Molecular Weight266.80 g/mol
Exact Mass266.14
IUPAC Name1-(3-chloro-4-methylphenyl)-2-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)hydrazine
SMILESCC[NH+]1CC=C(NNc2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C14H20ClN3/c1-3-18-8-6-12(7-9-18)16-17-13-5-4-11(2)14(15)10-13/h4-6,10,16-17H,3,7-9H2,1-2H3/p+1
InChIKeyODNDEFILLXGZMX-UHFFFAOYSA-O
XLogP1.76
TPSA28.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(3-chloro-4-methylphenyl)-2-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)hydrazinyl]benzoate
CID 2343979
3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline
CID 63862474
3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43104292
3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline
CID 64502448
N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline
CID 43111547
3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline
CID 54807377
3-chloro-N-dodecyl-4-methylaniline
CID 63487569
3-chloro-4-methyl-N-(propylideneamino)aniline
CID 110842508
3-chloro-N-(2-ethylsulfanylethyl)-4-methylaniline
CID 115881998
1-butan-2-yl-3-(3-chloro-4-methylphenyl)thiourea
CID 17263472
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
N-[1-(4-butylphenyl)ethyl]-3-chloro-4-methylaniline
CID 43097085

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)hydrazine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)hydrazine (CID 2347500) is 1-(3-chloro-4-methylphenyl)-2-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)hydrazine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)hydrazine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)hydrazine is CC[NH+]1CC=C(NNc2ccc(C)c(Cl)c2)CC1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)hydrazine?
The InChIKey is ODNDEFILLXGZMX-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20ClN3/c1-3-18-8-6-12(7-9-18)16-17-13-5-4-11(2)14(15)10-13/h4-6,10,16-17H,3,7-9H2,1-2H3/p+1.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)hydrazine?
1-(3-chloro-4-methylphenyl)-2-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)hydrazine has a molecular weight of 266.80 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-2-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)hydrazine is sourced from PubChem (CID 2347500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).