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

C14H17ClN4 — CID 62979984

IUPAC3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
SMILESCC(c1ccc(Cl)cc1)N(C)c1nccnc1CN
InChIInChI=1S/C14H17ClN4/c1-10(11-3-5-12(15)6-4-11)19(2)14-13(9-16)17-7-8-18-14/h3-8,10H,9,16H2,1-2H3
InChIKeyOFDXHECLFDHOJM-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.79
Rot. Bonds4

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

3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine (PubChem CID 62979984) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
PubChem CID62979984
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
SMILESCC(c1ccc(Cl)cc1)N(C)c1nccnc1CN
InChIInChI=1S/C14H17ClN4/c1-10(11-3-5-12(15)6-4-11)19(2)14-13(9-16)17-7-8-18-14/h3-8,10H,9,16H2,1-2H3
InChIKeyOFDXHECLFDHOJM-UHFFFAOYSA-N
XLogP2.79
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
CID 130297463
3-(4-aminophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
CID 130297492
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
4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine
CID 105383600
3-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine
CID 126561646
3-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyrazin-2-amine
CID 62671805
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline
CID 62979024
N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
2-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382292
[5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 62978853
2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
CID 102824202

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine (CID 62979984) is 3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine is CC(c1ccc(Cl)cc1)N(C)c1nccnc1CN.
What is the InChIKey of 3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine?
The InChIKey is OFDXHECLFDHOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-10(11-3-5-12(15)6-4-11)19(2)14-13(9-16)17-7-8-18-14/h3-8,10H,9,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine?
3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine has a molecular weight of 276.77 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 62979984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).