N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine

C13H17Cl2NO — CID 61276509

IUPACN-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Cl)c1)C1CCOC1
InChIInChI=1S/C13H17Cl2NO/c1-2-16-13(10-5-6-17-8-10)9-3-4-11(14)12(15)7-9/h3-4,7,10,13,16H,2,5-6,8H2,1H3
InChIKeyWUMFFIVISIIZCI-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.68
Rot. Bonds4

About N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine

N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine (PubChem CID 61276509) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
PubChem CID61276509
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC NameN-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Cl)c1)C1CCOC1
InChIInChI=1S/C13H17Cl2NO/c1-2-16-13(10-5-6-17-8-10)9-3-4-11(14)12(15)7-9/h3-4,7,10,13,16H,2,5-6,8H2,1H3
InChIKeyWUMFFIVISIIZCI-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-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276511
N-[(3-bromo-4-chlorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 113337193
N-[(3,4-dichlorophenyl)-(4,4-dimethylcyclohexyl)methyl]ethanamine
CID 65392424
N-[(3-bromo-4-ethoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 104657640
N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563793
2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 63045973
2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104755861
N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine
CID 61276508
N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276481
(3,4-dichlorophenyl)-(oxolan-3-yl)methanamine
CID 61273204
N-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine
CID 65330421
N-[(3-chloro-2-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 64713292

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine (CID 61276509) is N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine is CCNC(c1ccc(Cl)c(Cl)c1)C1CCOC1.
What is the InChIKey of N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine?
The InChIKey is WUMFFIVISIIZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-2-16-13(10-5-6-17-8-10)9-3-4-11(14)12(15)7-9/h3-4,7,10,13,16H,2,5-6,8H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine?
N-[(3,4-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-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 61276509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).