N-[[4-(6-fluoro-1H-benzimidazol-2-yl)morpholin-3-yl]methyl]ethanamine

C14H19FN4O — CID 103295537

IUPACN-[[4-(6-fluoro-1H-benzimidazol-2-yl)morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H19FN4O/c1-2-16-8-11-9-20-6-5-19(11)14-17-12-4-3-10(15)7-13(12)18-14/h3-4,7,11,16H,2,5-6,8-9H2,1H3,(H,17,18)
InChIKeyOPNBXTBUFBBDQZ-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.52
Rot. Bonds4

About N-[[4-(6-fluoro-1H-benzimidazol-2-yl)morpholin-3-yl]methyl]ethanamine

N-[[4-(6-fluoro-1H-benzimidazol-2-yl)morpholin-3-yl]methyl]ethanamine (PubChem CID 103295537) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[[4-(6-fluoro-1H-benzimidazol-2-yl)morpholin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(6-fluoro-1H-benzimidazol-2-yl)morpholin-3-yl]methyl]ethanamine
PubChem CID103295537
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC NameN-[[4-(6-fluoro-1H-benzimidazol-2-yl)morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H19FN4O/c1-2-16-8-11-9-20-6-5-19(11)14-17-12-4-3-10(15)7-13(12)18-14/h3-4,7,11,16H,2,5-6,8-9H2,1H3,(H,17,18)
InChIKeyOPNBXTBUFBBDQZ-UHFFFAOYSA-N
XLogP1.52
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(6-fluoro-1H-benzimidazol-2-yl)morpholin-3-yl]methyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(6-fluoro-1H-benzimidazol-2-yl)morpholin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(6-fluoro-1H-benzimidazol-2-yl)morpholin-3-yl]methyl]ethanamine (CID 103295537) is N-[[4-(6-fluoro-1H-benzimidazol-2-yl)morpholin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(6-fluoro-1H-benzimidazol-2-yl)morpholin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(6-fluoro-1H-benzimidazol-2-yl)morpholin-3-yl]methyl]ethanamine is CCNCC1COCCN1c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-[[4-(6-fluoro-1H-benzimidazol-2-yl)morpholin-3-yl]methyl]ethanamine?
The InChIKey is OPNBXTBUFBBDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-2-16-8-11-9-20-6-5-19(11)14-17-12-4-3-10(15)7-13(12)18-14/h3-4,7,11,16H,2,5-6,8-9H2,1H3,(H,17,18).
What are the key properties of N-[[4-(6-fluoro-1H-benzimidazol-2-yl)morpholin-3-yl]methyl]ethanamine?
N-[[4-(6-fluoro-1H-benzimidazol-2-yl)morpholin-3-yl]methyl]ethanamine has a molecular weight of 278.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6-fluoro-1H-benzimidazol-2-yl)morpholin-3-yl]methyl]ethanamine is sourced from PubChem (CID 103295537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).