(3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine

C15H18ClN3 — CID 107561977

IUPAC(3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
SMILESCCc1nnc(C)cc1C(N)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H18ClN3/c1-4-14-12(7-10(3)18-19-14)15(17)11-6-5-9(2)13(16)8-11/h5-8,15H,4,17H2,1-3H3
InChIKeyADENTHQCKWRZOY-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.36
Rot. Bonds3

About (3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine

(3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine (PubChem CID 107561977) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
PubChem CID107561977
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name(3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
SMILESCCc1nnc(C)cc1C(N)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H18ClN3/c1-4-14-12(7-10(3)18-19-14)15(17)11-6-5-9(2)13(16)8-11/h5-8,15H,4,17H2,1-3H3
InChIKeyADENTHQCKWRZOY-UHFFFAOYSA-N
XLogP3.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105145597
(3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105141233
(3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105133302
(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine
CID 105154023
(2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105145281
(5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105173448
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 63504339
(3-ethyl-6-methylpyridazin-4-yl)-(2-methoxyphenyl)methanamine
CID 105093493
(3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 55162371
(3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 63523104
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105035816
N-[(3-ethyl-6-methylpyridazin-4-yl)-(4-ethylphenyl)methyl]ethanamine
CID 105121574

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The IUPAC name of (3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine (CID 107561977) is (3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The canonical SMILES for (3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine is CCc1nnc(C)cc1C(N)c1ccc(C)c(Cl)c1.
What is the InChIKey of (3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The InChIKey is ADENTHQCKWRZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-4-14-12(7-10(3)18-19-14)15(17)11-6-5-9(2)13(16)8-11/h5-8,15H,4,17H2,1-3H3.
What are the key properties of (3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
(3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine has a molecular weight of 275.78 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine is sourced from PubChem (CID 107561977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).