N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-1-pyrazin-2-ylethanamine

C19H25N3O — CID 75428647

IUPACN-[(2-cyclopentyloxy-4-methylphenyl)methyl]-1-pyrazin-2-ylethanamine
SMILESCc1ccc(CNC(C)c2cnccn2)c(OC2CCCC2)c1
InChIInChI=1S/C19H25N3O/c1-14-7-8-16(19(11-14)23-17-5-3-4-6-17)12-22-15(2)18-13-20-9-10-21-18/h7-11,13,15,17,22H,3-6,12H2,1-2H3
InChIKeyWHIYTPDKNHIEHK-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.96
Rot. Bonds6

About N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-1-pyrazin-2-ylethanamine

N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-1-pyrazin-2-ylethanamine (PubChem CID 75428647) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-4-methylphenyl)methyl]-1-pyrazin-2-ylethanamine
PubChem CID75428647
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[(2-cyclopentyloxy-4-methylphenyl)methyl]-1-pyrazin-2-ylethanamine
SMILESCc1ccc(CNC(C)c2cnccn2)c(OC2CCCC2)c1
InChIInChI=1S/C19H25N3O/c1-14-7-8-16(19(11-14)23-17-5-3-4-6-17)12-22-15(2)18-13-20-9-10-21-18/h7-11,13,15,17,22H,3-6,12H2,1-2H3
InChIKeyWHIYTPDKNHIEHK-UHFFFAOYSA-N
XLogP3.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-pyrazin-2-ylethanamine
CID 75427846
N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine
CID 55204170
N-(2-cyclobutylethyl)-1-pyrazin-2-ylethanamine
CID 115893473
1-(4-cyclopentyloxyphenyl)-N-(1-pyrazin-2-ylethyl)propan-1-amine
CID 75428079
N-(piperidin-2-ylmethyl)-1-pyrazin-2-ylethanamine
CID 71637820
1-(2-cyclopentyloxy-4-methylphenyl)ethanol
CID 63650282
N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-methoxyacetamide
CID 75378567
(1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol
CID 82928224
N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 82927515
trans-(1S,2S)-2-cyclopentyloxy-N-[(1S)-1-pyrazin-2-ylethyl]cyclohexan-1-amine
CID 97108565
N-[(2-cyclobutyloxyphenyl)methyl]pyrazin-2-amine
CID 133308784
N-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 81254203

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-1-pyrazin-2-ylethanamine?
The IUPAC name of N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-1-pyrazin-2-ylethanamine (CID 75428647) is N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-1-pyrazin-2-ylethanamine.
What is the SMILES notation for N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-1-pyrazin-2-ylethanamine?
The canonical SMILES for N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-1-pyrazin-2-ylethanamine is Cc1ccc(CNC(C)c2cnccn2)c(OC2CCCC2)c1.
What is the InChIKey of N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-1-pyrazin-2-ylethanamine?
The InChIKey is WHIYTPDKNHIEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-7-8-16(19(11-14)23-17-5-3-4-6-17)12-22-15(2)18-13-20-9-10-21-18/h7-11,13,15,17,22H,3-6,12H2,1-2H3.
What are the key properties of N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-1-pyrazin-2-ylethanamine?
N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-1-pyrazin-2-ylethanamine has a molecular weight of 311.43 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 75428647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).