5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine

C13H19Cl2NO — CID 55077390

IUPAC5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine
SMILESCCNCCCCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2NO/c1-2-16-9-4-3-5-10-17-12-8-6-7-11(14)13(12)15/h6-8,16H,2-5,9-10H2,1H3
InChIKeyRYIGKUWTZQPEMM-UHFFFAOYSA-N
MW276.21 g/mol
LogP4.15
Rot. Bonds8

About 5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine

5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine (PubChem CID 55077390) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine
PubChem CID55077390
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine
SMILESCCNCCCCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2NO/c1-2-16-9-4-3-5-10-17-12-8-6-7-11(14)13(12)15/h6-8,16H,2-5,9-10H2,1H3
InChIKeyRYIGKUWTZQPEMM-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 54.15
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-butyl-4-(2,3-dichlorophenoxy)butan-1-amine
CID 2248800
N-[3-(2,3-dichlorophenoxy)propyl]butan-1-amine
CID 2248430
4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide
CID 119508138
N-butyl-5-(2-chlorophenoxy)pentan-1-amine
CID 2247459
5-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine
CID 62451735
N-ethyl-5-(2-methylphenoxy)pentan-1-amine
CID 62452397
2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride
CID 71297106
3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine
CID 60800210
N-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine
CID 62451053
N-ethyl-5-(2-propan-2-ylphenoxy)pentan-1-amine
CID 55077101
N-[(2-chloro-6-octoxyphenyl)methyl]propan-1-amine
CID 114319420
3-(2,3-dichlorophenoxy)propane-1-thiol
CID 79019605

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine?
The IUPAC name of 5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine (CID 55077390) is 5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine.
What is the SMILES notation for 5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine?
The canonical SMILES for 5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine is CCNCCCCCOc1cccc(Cl)c1Cl.
What is the InChIKey of 5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine?
The InChIKey is RYIGKUWTZQPEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-2-16-9-4-3-5-10-17-12-8-6-7-11(14)13(12)15/h6-8,16H,2-5,9-10H2,1H3.
What are the key properties of 5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine?
5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine has a molecular weight of 276.21 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine is sourced from PubChem (CID 55077390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).