3-(4-aminophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine

C19H19ClN4 — CID 130297492

IUPAC3-(4-aminophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
SMILESC[C@@H](c1ccc(Cl)cc1)N(C)c1nccnc1-c1ccc(N)cc1
InChIInChI=1S/C19H19ClN4/c1-13(14-3-7-16(20)8-4-14)24(2)19-18(22-11-12-23-19)15-5-9-17(21)10-6-15/h3-13H,21H2,1-2H3/t13-/m0/s1
InChIKeyKMHMXEQYPNZKBM-ZDUSSCGKSA-N
MW338.84 g/mol
LogP4.58
Rot. Bonds4

About 3-(4-aminophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine

3-(4-aminophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine (PubChem CID 130297492) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
PubChem CID130297492
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name3-(4-aminophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
SMILESC[C@@H](c1ccc(Cl)cc1)N(C)c1nccnc1-c1ccc(N)cc1
InChIInChI=1S/C19H19ClN4/c1-13(14-3-7-16(20)8-4-14)24(2)19-18(22-11-12-23-19)15-5-9-17(21)10-6-15/h3-13H,21H2,1-2H3/t13-/m0/s1
InChIKeyKMHMXEQYPNZKBM-ZDUSSCGKSA-N
XLogP4.58
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
CID 62979984
3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
CID 130297463
3-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine
CID 126561646
N-[4-[3-[[(1S)-1-(4-chlorophenyl)ethyl]-methylamino]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
CID 130297341
1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-diamine
CID 62979678
4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine
CID 105383600
2-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382292
5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid
CID 81446929
2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
CID 102824202
N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline
CID 121403567
2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
CID 62980335
3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62984905

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine?
The IUPAC name of 3-(4-aminophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine (CID 130297492) is 3-(4-aminophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 3-(4-aminophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 3-(4-aminophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine is C[C@@H](c1ccc(Cl)cc1)N(C)c1nccnc1-c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine?
The InChIKey is KMHMXEQYPNZKBM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-13(14-3-7-16(20)8-4-14)24(2)19-18(22-11-12-23-19)15-5-9-17(21)10-6-15/h3-13H,21H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-(4-aminophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine?
3-(4-aminophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine has a molecular weight of 338.84 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 130297492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).