2-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine

C13H17Cl2NO — CID 43193588

IUPAC2-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESClc1ccc(CCNCC2CCOC2)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c14-12-2-1-11(13(15)7-12)3-5-16-8-10-4-6-17-9-10/h1-2,7,10,16H,3-6,8-9H2
InChIKeyBEHKSLMHSJXKJF-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.16
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine

2-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 43193588) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID43193588
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name2-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESClc1ccc(CCNCC2CCOC2)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c14-12-2-1-11(13(15)7-12)3-5-16-8-10-4-6-17-9-10/h1-2,7,10,16H,3-6,8-9H2
InChIKeyBEHKSLMHSJXKJF-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-1-[(3S)-oxolan-3-yl]methanamine
CID 96982783
1-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine
CID 111197454
N-[(2-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 61040054
2-[2-(2,4-dichlorophenyl)ethyl-[2-[(3R)-oxolan-3-yl]acetyl]amino]acetic acid
CID 125152937
2,5-dichloro-N-(oxolan-3-ylmethyl)aniline
CID 43191026
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 63879209
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 108994371
2-[[[2-[(2,4-dichlorophenyl)methoxy]ethylamino]-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110034121
2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62314981
1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine
CID 54932273
2-[(2-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 62564827

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine (CID 43193588) is 2-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine is Clc1ccc(CCNCC2CCOC2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is BEHKSLMHSJXKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-12-2-1-11(13(15)7-12)3-5-16-8-10-4-6-17-9-10/h1-2,7,10,16H,3-6,8-9H2.
What are the key properties of 2-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine?
2-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 274.19 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 43193588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).