1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine

C17H22ClN3 — CID 102612365

IUPAC1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
SMILESCc1nccnc1C(C)NC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C17H22ClN3/c1-11(2)16(14-5-7-15(18)8-6-14)21-13(4)17-12(3)19-9-10-20-17/h5-11,13,16,21H,1-4H3
InChIKeyGRPNPTBVJMFQIS-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.49
Rot. Bonds5

About 1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine

1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine (PubChem CID 102612365) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
PubChem CID102612365
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
SMILESCc1nccnc1C(C)NC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C17H22ClN3/c1-11(2)16(14-5-7-15(18)8-6-14)21-13(4)17-12(3)19-9-10-20-17/h5-11,13,16,21H,1-4H3
InChIKeyGRPNPTBVJMFQIS-UHFFFAOYSA-N
XLogP4.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81353330
N-[2-(4-chlorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612241
N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 43685470
1-(4-methylphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 102612282
1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43781909
(1R)-N-[1-(3-methylpyrazin-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 102613225
1-(4-chlorophenyl)-N-(1-ethylsulfonylpropan-2-yl)-2-methylpropan-1-amine
CID 115898625
(2R)-2-[1-(3-methylpyrazin-2-yl)ethylamino]-2-phenylethanol
CID 102612924
N-[1-(4-chlorophenyl)-2-methylpropyl]heptan-4-amine
CID 43687596
1-(4-chlorophenyl)-N-(3-methoxybutan-2-yl)-2-methylpropan-1-amine
CID 113259992
(1S)-1-(2-bromophenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine
CID 102613113
N-[1-(3-methylpyrazin-2-yl)ethyl]hexan-3-amine
CID 102612956

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine (CID 102612365) is 1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine is Cc1nccnc1C(C)NC(c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine?
The InChIKey is GRPNPTBVJMFQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-11(2)16(14-5-7-15(18)8-6-14)21-13(4)17-12(3)19-9-10-20-17/h5-11,13,16,21H,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine?
1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine has a molecular weight of 303.84 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 102612365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).