4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline

C16H27ClN2O2 — CID 114853037

IUPAC4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
SMILESCOCCNCc1cc(Cl)ccc1N(CCOC)C(C)C
InChIInChI=1S/C16H27ClN2O2/c1-13(2)19(8-10-21-4)16-6-5-15(17)11-14(16)12-18-7-9-20-3/h5-6,11,13,18H,7-10,12H2,1-4H3
InChIKeyJKDUGJOAGUEEHJ-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.94
Rot. Bonds10

About 4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline

4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline (PubChem CID 114853037) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
PubChem CID114853037
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
SMILESCOCCNCc1cc(Cl)ccc1N(CCOC)C(C)C
InChIInChI=1S/C16H27ClN2O2/c1-13(2)19(8-10-21-4)16-6-5-15(17)11-14(16)12-18-7-9-20-3/h5-6,11,13,18H,7-10,12H2,1-4H3
InChIKeyJKDUGJOAGUEEHJ-UHFFFAOYSA-N
XLogP2.94
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 114849967
5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 114853034
N-butyl-4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114847405
4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114852817
4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzaldehyde
CID 114844506
2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82961156
4-chloro-N-(2,2-dimethylpropyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114850376
1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol
CID 114850641
N-ethyl-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
CID 63059826
2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide
CID 114848156
N-[[4-chloro-2-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 107761637
N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline?
The IUPAC name of 4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline (CID 114853037) is 4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline.
What is the SMILES notation for 4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline?
The canonical SMILES for 4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline is COCCNCc1cc(Cl)ccc1N(CCOC)C(C)C.
What is the InChIKey of 4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline?
The InChIKey is JKDUGJOAGUEEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O2/c1-13(2)19(8-10-21-4)16-6-5-15(17)11-14(16)12-18-7-9-20-3/h5-6,11,13,18H,7-10,12H2,1-4H3.
What are the key properties of 4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline?
4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline has a molecular weight of 314.86 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline is sourced from PubChem (CID 114853037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).