N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine

C13H17Cl2NO — CID 61276511

IUPACN-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)C1CCOC1
InChIInChI=1S/C13H17Cl2NO/c1-2-16-13(9-5-6-17-8-9)11-7-10(14)3-4-12(11)15/h3-4,7,9,13,16H,2,5-6,8H2,1H3
InChIKeyKRRBIKZEYBOOLZ-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.68
Rot. Bonds4

About N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine

N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine (PubChem CID 61276511) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
PubChem CID61276511
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC NameN-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)C1CCOC1
InChIInChI=1S/C13H17Cl2NO/c1-2-16-13(9-5-6-17-8-9)11-7-10(14)3-4-12(11)15/h3-4,7,9,13,16H,2,5-6,8H2,1H3
InChIKeyKRRBIKZEYBOOLZ-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976
N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276509
N-[(5-bromo-2-chlorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 115855995
N-[(4-chloro-2-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 63936493
N-[(3-chloro-2-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 64713292
3-[chloro-(2,5-dichlorophenyl)methyl]oxolane
CID 61278920
N-[(2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 63010696
N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563797
N-[(2,3-difluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 65330309
N-[(4-chloro-2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 107138788
1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 115856559
N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62907060

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine (CID 61276511) is N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine is CCNC(c1cc(Cl)ccc1Cl)C1CCOC1.
What is the InChIKey of N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine?
The InChIKey is KRRBIKZEYBOOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-2-16-13(9-5-6-17-8-9)11-7-10(14)3-4-12(11)15/h3-4,7,9,13,16H,2,5-6,8H2,1H3.
What are the key properties of N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine?
N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine has a molecular weight of 274.19 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 61276511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).