N-[(1S)-1-(4-chlorophenyl)propyl]-6-methylpyridazin-3-amine

C14H16ClN3 — CID 146389902

IUPACN-[(1S)-1-(4-chlorophenyl)propyl]-6-methylpyridazin-3-amine
SMILESCC[C@H](Nc1ccc(C)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3/c1-3-13(11-5-7-12(15)8-6-11)16-14-9-4-10(2)17-18-14/h4-9,13H,3H2,1-2H3,(H,16,18)/t13-/m0/s1
InChIKeyNFOGQTQDVGVVGH-ZDUSSCGKSA-N
MW261.76 g/mol
LogP4.00
Rot. Bonds4

About N-[(1S)-1-(4-chlorophenyl)propyl]-6-methylpyridazin-3-amine

N-[(1S)-1-(4-chlorophenyl)propyl]-6-methylpyridazin-3-amine (PubChem CID 146389902) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)propyl]-6-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)propyl]-6-methylpyridazin-3-amine
PubChem CID146389902
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-[(1S)-1-(4-chlorophenyl)propyl]-6-methylpyridazin-3-amine
SMILESCC[C@H](Nc1ccc(C)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3/c1-3-13(11-5-7-12(15)8-6-11)16-14-9-4-10(2)17-18-14/h4-9,13H,3H2,1-2H3,(H,16,18)/t13-/m0/s1
InChIKeyNFOGQTQDVGVVGH-ZDUSSCGKSA-N
XLogP4.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide
CID 55871607
N-[1-(4-chlorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547308
N-[(1R)-1-(4-chlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 30039564
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
6-methyl-N-pentan-2-ylpyridazin-3-amine
CID 61313507
3-bromo-N-[1-(4-chlorophenyl)propyl]-5-methylaniline
CID 107582181
N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline
CID 63476825
[4-[1-(4-chlorophenyl)propylamino]phenyl]urea
CID 43745000
N-[1-(4-chlorophenyl)propyl]-2-ethyl-6-methylaniline
CID 63448407
3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline
CID 43119213
1-(4-chlorophenyl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 115577081
N-[1-(4-chlorophenyl)propyl]-2-iodoaniline
CID 43124768

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)propyl]-6-methylpyridazin-3-amine?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)propyl]-6-methylpyridazin-3-amine (CID 146389902) is N-[(1S)-1-(4-chlorophenyl)propyl]-6-methylpyridazin-3-amine.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)propyl]-6-methylpyridazin-3-amine?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)propyl]-6-methylpyridazin-3-amine is CC[C@H](Nc1ccc(C)nn1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)propyl]-6-methylpyridazin-3-amine?
The InChIKey is NFOGQTQDVGVVGH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-3-13(11-5-7-12(15)8-6-11)16-14-9-4-10(2)17-18-14/h4-9,13H,3H2,1-2H3,(H,16,18)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)propyl]-6-methylpyridazin-3-amine?
N-[(1S)-1-(4-chlorophenyl)propyl]-6-methylpyridazin-3-amine has a molecular weight of 261.76 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)propyl]-6-methylpyridazin-3-amine is sourced from PubChem (CID 146389902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).