2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine

C13H20ClNO2 — CID 62598234

IUPAC2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)Oc1cc(C)ccc1Cl
InChIInChI=1S/C13H20ClNO2/c1-10-4-5-12(14)13(8-10)17-11(2)9-15-6-7-16-3/h4-5,8,11,15H,6-7,9H2,1-3H3
InChIKeyLTTIHLUMZCDSBX-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.65
Rot. Bonds7

About 2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine

2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 62598234) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
PubChem CID62598234
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)Oc1cc(C)ccc1Cl
InChIInChI=1S/C13H20ClNO2/c1-10-4-5-12(14)13(8-10)17-11(2)9-15-6-7-16-3/h4-5,8,11,15H,6-7,9H2,1-3H3
InChIKeyLTTIHLUMZCDSBX-UHFFFAOYSA-N
XLogP2.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-(2,4,5-trichlorophenoxy)propan-1-amine
CID 55092907
N-(2-methoxyethyl)-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-amine
CID 55088268
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62583039
N-[2-(2-chloro-4-methylphenoxy)propyl]butan-1-amine
CID 55104480
2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 62571165
N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-1-amine
CID 55211278
N-[2-(2-chloro-5-methylphenoxy)propyl]cyclohexanamine
CID 63517678
2-(4-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 62571399
3-(2-chloro-4-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62671685
2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyethyl)propan-1-amine
CID 62583714
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylbutan-1-amine
CID 62599104
N-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103228482

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine (CID 62598234) is 2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine is COCCNCC(C)Oc1cc(C)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is LTTIHLUMZCDSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-10-4-5-12(14)13(8-10)17-11(2)9-15-6-7-16-3/h4-5,8,11,15H,6-7,9H2,1-3H3.
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 257.76 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 62598234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).