2-(2-chloroethoxy)-N-[(2,5-dimethylphenyl)methyl]-N-ethylethanamine

C15H24ClNO — CID 114263776

IUPAC2-(2-chloroethoxy)-N-[(2,5-dimethylphenyl)methyl]-N-ethylethanamine
SMILESCCN(CCOCCCl)Cc1cc(C)ccc1C
InChIInChI=1S/C15H24ClNO/c1-4-17(8-10-18-9-7-16)12-15-11-13(2)5-6-14(15)3/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyYBIOKJLZETVQKW-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.38
Rot. Bonds8

About 2-(2-chloroethoxy)-N-[(2,5-dimethylphenyl)methyl]-N-ethylethanamine

2-(2-chloroethoxy)-N-[(2,5-dimethylphenyl)methyl]-N-ethylethanamine (PubChem CID 114263776) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-N-[(2,5-dimethylphenyl)methyl]-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chloroethoxy)-N-[(2,5-dimethylphenyl)methyl]-N-ethylethanamine
PubChem CID114263776
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-(2-chloroethoxy)-N-[(2,5-dimethylphenyl)methyl]-N-ethylethanamine
SMILESCCN(CCOCCCl)Cc1cc(C)ccc1C
InChIInChI=1S/C15H24ClNO/c1-4-17(8-10-18-9-7-16)12-15-11-13(2)5-6-14(15)3/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyYBIOKJLZETVQKW-UHFFFAOYSA-N
XLogP3.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61481983
3-[(2,5-dimethylphenyl)methyl-ethylamino]propanoic acid
CID 61481727
N-[(2-bromo-3-fluorophenyl)methyl]-2-(2-chloroethoxy)-N-ethylethanamine
CID 114263767
N,N-diethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine
CID 2298077
1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 78963628
N-ethyl-2-methoxy-N-[(5-methyl-2-phenylphenyl)methyl]ethanamine
CID 70967427
1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 63697542
2-chloro-N-(2-chloroethyl)-N-[(2-ethoxy-5-methylphenyl)methyl]ethanamine chloride
CID 53351440
N-[2-(2-chloroethoxy)ethyl]-N-ethyl-2-methoxyethanamine
CID 63666499
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-(2-chloroethoxy)-N-ethylethanamine
CID 114263779
2-(2-chloroethyl)-1,4-dimethylbenzene
CID 53403519
2-(2-chloroethoxy)-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 63666093

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-N-[(2,5-dimethylphenyl)methyl]-N-ethylethanamine?
The IUPAC name of 2-(2-chloroethoxy)-N-[(2,5-dimethylphenyl)methyl]-N-ethylethanamine (CID 114263776) is 2-(2-chloroethoxy)-N-[(2,5-dimethylphenyl)methyl]-N-ethylethanamine.
What is the SMILES notation for 2-(2-chloroethoxy)-N-[(2,5-dimethylphenyl)methyl]-N-ethylethanamine?
The canonical SMILES for 2-(2-chloroethoxy)-N-[(2,5-dimethylphenyl)methyl]-N-ethylethanamine is CCN(CCOCCCl)Cc1cc(C)ccc1C.
What is the InChIKey of 2-(2-chloroethoxy)-N-[(2,5-dimethylphenyl)methyl]-N-ethylethanamine?
The InChIKey is YBIOKJLZETVQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-4-17(8-10-18-9-7-16)12-15-11-13(2)5-6-14(15)3/h5-6,11H,4,7-10,12H2,1-3H3.
What are the key properties of 2-(2-chloroethoxy)-N-[(2,5-dimethylphenyl)methyl]-N-ethylethanamine?
2-(2-chloroethoxy)-N-[(2,5-dimethylphenyl)methyl]-N-ethylethanamine has a molecular weight of 269.82 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)-N-[(2,5-dimethylphenyl)methyl]-N-ethylethanamine is sourced from PubChem (CID 114263776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).