CID 139239818

C21H25N3O — CID 139239818

IUPAC—
SMILESCc1ccccc1CN1[C]N(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C21H25N3O/c1-18-6-2-3-7-19(18)16-24-17-23(20-8-4-5-9-21(20)24)11-10-22-12-14-25-15-13-22/h2-9H,10-16H2,1H3
InChIKeyRZVBEWRFZKULPS-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.15
Rot. Bonds5

About CID 139239818

CID 139239818 (PubChem CID 139239818) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol.

Molecular Properties

Compound NameCID 139239818
PubChem CID139239818
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name—
SMILESCc1ccccc1CN1[C]N(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C21H25N3O/c1-18-6-2-3-7-19(18)16-24-17-23(20-8-4-5-9-21(20)24)11-10-22-12-14-25-15-13-22/h2-9H,10-16H2,1H3
InChIKeyRZVBEWRFZKULPS-UHFFFAOYSA-N
XLogP3.15
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze CID 139239818 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[3-[(2-methylphenyl)methyl]-2H-benzimidazol-1-yl]ethyl]morpholine
CID 177472907
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
2-(2-methylphenyl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073706
N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981
1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108897158
N-methyl-2-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110753270
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]ethanone
CID 55494144
N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016696
2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 20851363
2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 112991530
2-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
CID 111753096

Frequently Asked Questions

What is the IUPAC name of CID 139239818?
The IUPAC name of CID 139239818 (CID 139239818) is not available.
What is the SMILES notation for CID 139239818?
The canonical SMILES for CID 139239818 is Cc1ccccc1CN1[C]N(CCN2CCOCC2)c2ccccc21.
What is the InChIKey of CID 139239818?
The InChIKey is RZVBEWRFZKULPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-18-6-2-3-7-19(18)16-24-17-23(20-8-4-5-9-21(20)24)11-10-22-12-14-25-15-13-22/h2-9H,10-16H2,1H3.
What are the key properties of CID 139239818?
CID 139239818 has a molecular weight of 335.45 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139239818 is sourced from PubChem (CID 139239818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).