1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine

C18H26N4O2 — CID 19625014

IUPAC1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2ccnn2C)cc1CN1CCOCC1
InChIInChI=1S/C18H26N4O2/c1-21-17(5-6-20-21)13-19-12-15-3-4-18(23-2)16(11-15)14-22-7-9-24-10-8-22/h3-6,11,19H,7-10,12-14H2,1-2H3
InChIKeyGQMSRLMLOOCMSY-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.55
Rot. Bonds7

About 1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine

1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine (PubChem CID 19625014) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
PubChem CID19625014
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2ccnn2C)cc1CN1CCOCC1
InChIInChI=1S/C18H26N4O2/c1-21-17(5-6-20-21)13-19-12-15-3-4-18(23-2)16(11-15)14-22-7-9-24-10-8-22/h3-6,11,19H,7-10,12-14H2,1-2H3
InChIKeyGQMSRLMLOOCMSY-UHFFFAOYSA-N
XLogP1.55
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride
CID 17216121
N-[[4-methoxy-3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62986419
N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 17216096
2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride
CID 17216059
3-imidazol-1-yl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]propan-1-amine
CID 17216138
4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-phenylethanol;dihydrochloride
CID 17216101
N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809737
O-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117384193
2-(cyclohexen-1-yl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride
CID 17216019
2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]butan-1-ol
CID 17216054
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine (CID 19625014) is 1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine is COc1ccc(CNCc2ccnn2C)cc1CN1CCOCC1.
What is the InChIKey of 1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The InChIKey is GQMSRLMLOOCMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-21-17(5-6-20-21)13-19-12-15-3-4-18(23-2)16(11-15)14-22-7-9-24-10-8-22/h3-6,11,19H,7-10,12-14H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine has a molecular weight of 330.43 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 19625014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).