(2,5-dichlorophenyl)-(oxolan-3-yl)methanamine

C11H13Cl2NO — CID 61270856

IUPAC(2,5-dichlorophenyl)-(oxolan-3-yl)methanamine
SMILESNC(c1cc(Cl)ccc1Cl)C1CCOC1
InChIInChI=1S/C11H13Cl2NO/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7/h1-2,5,7,11H,3-4,6,14H2
InChIKeyIEPFJYJWIRRJLA-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.03
Rot. Bonds2

About (2,5-dichlorophenyl)-(oxolan-3-yl)methanamine

(2,5-dichlorophenyl)-(oxolan-3-yl)methanamine (PubChem CID 61270856) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(oxolan-3-yl)methanamine
PubChem CID61270856
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name(2,5-dichlorophenyl)-(oxolan-3-yl)methanamine
SMILESNC(c1cc(Cl)ccc1Cl)C1CCOC1
InChIInChI=1S/C11H13Cl2NO/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7/h1-2,5,7,11H,3-4,6,14H2
InChIKeyIEPFJYJWIRRJLA-UHFFFAOYSA-N
XLogP3.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,5-dichlorophenyl)-(oxolan-3-yl)methanamine 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-Chlorophenyl)(oxolan-3-yl)methanamine
CID 61271782
2-Amino-2-(2,5-dichlorophenyl)ethan-1-ol
CID 67363865
(2-Chloro-3-fluorophenyl)-(oxetan-3-yl)methanamine
CID 176316015
[3-Chloro-4-(oxolan-3-yl)phenyl]methanamine
CID 83835176
1-(2-Chlorophenyl)-3-methoxy-3-methylbutan-1-amine
CID 103024917
1-(3-Chlorophenyl)-3-methoxy-3-methylbutan-1-amine
CID 103024954
1-(2,5-dichlorophenyl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103025973
1-(2,5-Dichlorophenyl)-3-methoxy-3-methylbutan-1-amine
CID 103025974
1-(2,5-dichlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031132
1-(3-Chlorophenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031393
1-(2,3-Dichlorophenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031468
1-(2-Chlorophenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031575

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(oxolan-3-yl)methanamine?
The IUPAC name of (2,5-dichlorophenyl)-(oxolan-3-yl)methanamine (CID 61270856) is (2,5-dichlorophenyl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (2,5-dichlorophenyl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (2,5-dichlorophenyl)-(oxolan-3-yl)methanamine is NC(c1cc(Cl)ccc1Cl)C1CCOC1.
What is the InChIKey of (2,5-dichlorophenyl)-(oxolan-3-yl)methanamine?
The InChIKey is IEPFJYJWIRRJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7/h1-2,5,7,11H,3-4,6,14H2.
What are the key properties of (2,5-dichlorophenyl)-(oxolan-3-yl)methanamine?
(2,5-dichlorophenyl)-(oxolan-3-yl)methanamine has a molecular weight of 246.14 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 61270856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).