N-methyl-1-[5-(4-morpholin-4-ylbut-1-ynyl)-2-phenoxyphenyl]methanamine

C22H26N2O2 — CID 24964161

IUPACN-methyl-1-[5-(4-morpholin-4-ylbut-1-ynyl)-2-phenoxyphenyl]methanamine
SMILESCNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccccc1
InChIInChI=1S/C22H26N2O2/c1-23-18-20-17-19(7-5-6-12-24-13-15-25-16-14-24)10-11-22(20)26-21-8-3-2-4-9-21/h2-4,8-11,17,23H,6,12-16,18H2,1H3
InChIKeyOICXGVDCXUDGKS-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.27
Rot. Bonds6

About N-methyl-1-[5-(4-morpholin-4-ylbut-1-ynyl)-2-phenoxyphenyl]methanamine

N-methyl-1-[5-(4-morpholin-4-ylbut-1-ynyl)-2-phenoxyphenyl]methanamine (PubChem CID 24964161) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-methyl-1-[5-(4-morpholin-4-ylbut-1-ynyl)-2-phenoxyphenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(4-morpholin-4-ylbut-1-ynyl)-2-phenoxyphenyl]methanamine
PubChem CID24964161
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-methyl-1-[5-(4-morpholin-4-ylbut-1-ynyl)-2-phenoxyphenyl]methanamine
SMILESCNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccccc1
InChIInChI=1S/C22H26N2O2/c1-23-18-20-17-19(7-5-6-12-24-13-15-25-16-14-24)10-11-22(20)26-21-8-3-2-4-9-21/h2-4,8-11,17,23H,6,12-16,18H2,1H3
InChIKeyOICXGVDCXUDGKS-UHFFFAOYSA-N
XLogP3.27
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(4-morpholin-4-ylbut-1-ynyl)-2-phenoxyphenyl]methanamine?
The IUPAC name of N-methyl-1-[5-(4-morpholin-4-ylbut-1-ynyl)-2-phenoxyphenyl]methanamine (CID 24964161) is N-methyl-1-[5-(4-morpholin-4-ylbut-1-ynyl)-2-phenoxyphenyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(4-morpholin-4-ylbut-1-ynyl)-2-phenoxyphenyl]methanamine?
The canonical SMILES for N-methyl-1-[5-(4-morpholin-4-ylbut-1-ynyl)-2-phenoxyphenyl]methanamine is CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccccc1.
What is the InChIKey of N-methyl-1-[5-(4-morpholin-4-ylbut-1-ynyl)-2-phenoxyphenyl]methanamine?
The InChIKey is OICXGVDCXUDGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-23-18-20-17-19(7-5-6-12-24-13-15-25-16-14-24)10-11-22(20)26-21-8-3-2-4-9-21/h2-4,8-11,17,23H,6,12-16,18H2,1H3.
What are the key properties of N-methyl-1-[5-(4-morpholin-4-ylbut-1-ynyl)-2-phenoxyphenyl]methanamine?
N-methyl-1-[5-(4-morpholin-4-ylbut-1-ynyl)-2-phenoxyphenyl]methanamine has a molecular weight of 350.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(4-morpholin-4-ylbut-1-ynyl)-2-phenoxyphenyl]methanamine is sourced from PubChem (CID 24964161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).