N-[(1R)-1-(4-chlorophenyl)ethyl]-4,5-dimethyl-6-propan-2-ylpyridazin-3-amine

C17H22ClN3 — CID 121313849

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-4,5-dimethyl-6-propan-2-ylpyridazin-3-amine
SMILESCc1c(N[C@H](C)c2ccc(Cl)cc2)nnc(C(C)C)c1C
InChIInChI=1S/C17H22ClN3/c1-10(2)16-11(3)12(4)17(21-20-16)19-13(5)14-6-8-15(18)9-7-14/h6-10,13H,1-5H3,(H,19,21)/t13-/m1/s1
InChIKeyNAPMYRDVXCGTND-CYBMUJFWSA-N
MW303.84 g/mol
LogP5.04
Rot. Bonds4

About N-[(1R)-1-(4-chlorophenyl)ethyl]-4,5-dimethyl-6-propan-2-ylpyridazin-3-amine

N-[(1R)-1-(4-chlorophenyl)ethyl]-4,5-dimethyl-6-propan-2-ylpyridazin-3-amine (PubChem CID 121313849) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-4,5-dimethyl-6-propan-2-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-4,5-dimethyl-6-propan-2-ylpyridazin-3-amine
PubChem CID121313849
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-4,5-dimethyl-6-propan-2-ylpyridazin-3-amine
SMILESCc1c(N[C@H](C)c2ccc(Cl)cc2)nnc(C(C)C)c1C
InChIInChI=1S/C17H22ClN3/c1-10(2)16-11(3)12(4)17(21-20-16)19-13(5)14-6-8-15(18)9-7-14/h6-10,13H,1-5H3,(H,19,21)/t13-/m1/s1
InChIKeyNAPMYRDVXCGTND-CYBMUJFWSA-N
XLogP5.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.84
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethyl-3,6-di(propan-2-yl)pyridazine;1,4-di(propan-2-yl)benzene
CID 160536856
6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 63729135
4-chloro-N-[1-(4-chlorophenyl)ethyl]phthalazin-1-amine
CID 62142134
6-bromo-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
CID 15916595
4-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidine-4,6-diamine
CID 80802406
4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80802407
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
6-chloro-N-[1-(4-chlorophenyl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 63728979
3-[1-(4-chlorophenyl)ethylamino]pyrazine-2-carbothioamide
CID 62684452
4-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80802199
N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60631569
3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43096908

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-4,5-dimethyl-6-propan-2-ylpyridazin-3-amine?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-4,5-dimethyl-6-propan-2-ylpyridazin-3-amine (CID 121313849) is N-[(1R)-1-(4-chlorophenyl)ethyl]-4,5-dimethyl-6-propan-2-ylpyridazin-3-amine.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-4,5-dimethyl-6-propan-2-ylpyridazin-3-amine?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-4,5-dimethyl-6-propan-2-ylpyridazin-3-amine is Cc1c(N[C@H](C)c2ccc(Cl)cc2)nnc(C(C)C)c1C.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-4,5-dimethyl-6-propan-2-ylpyridazin-3-amine?
The InChIKey is NAPMYRDVXCGTND-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-10(2)16-11(3)12(4)17(21-20-16)19-13(5)14-6-8-15(18)9-7-14/h6-10,13H,1-5H3,(H,19,21)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-4,5-dimethyl-6-propan-2-ylpyridazin-3-amine?
N-[(1R)-1-(4-chlorophenyl)ethyl]-4,5-dimethyl-6-propan-2-ylpyridazin-3-amine has a molecular weight of 303.84 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-4,5-dimethyl-6-propan-2-ylpyridazin-3-amine is sourced from PubChem (CID 121313849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).