2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline

C15H25ClN2O2 — CID 63786522

IUPAC2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
SMILESCOCCCN(CCOC)c1cccc(Cl)c1CCN
InChIInChI=1S/C15H25ClN2O2/c1-19-11-4-9-18(10-12-20-2)15-6-3-5-14(16)13(15)7-8-17/h3,5-6H,4,7-12,17H2,1-2H3
InChIKeyMEMRZNYOHXSEFU-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.33
Rot. Bonds10

About 2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline

2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline (PubChem CID 63786522) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
PubChem CID63786522
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
SMILESCOCCCN(CCOC)c1cccc(Cl)c1CCN
InChIInChI=1S/C15H25ClN2O2/c1-19-11-4-9-18(10-12-20-2)15-6-3-5-14(16)13(15)7-8-17/h3,5-6H,4,7-12,17H2,1-2H3
InChIKeyMEMRZNYOHXSEFU-UHFFFAOYSA-N
XLogP2.33
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.33
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

2-(2-aminoethyl)-3-chloro-N,N-bis(2-ethoxyethyl)aniline
CID 82943922
2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline
CID 63786686
3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 61418447
2-chloro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzaldehyde
CID 54989930
4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 81166238
3-[3-chloro-2-(hydroxymethyl)-N-(2-methoxyethyl)anilino]propanenitrile
CID 55173059
2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 63817543
N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine
CID 54935456
2-[bis(2-methoxyethyl)amino]-6-chlorobenzenecarbothioamide
CID 62496660
2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63786690
[2-chloro-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]methanol
CID 103339584
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 54989680

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
The IUPAC name of 2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline (CID 63786522) is 2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline is COCCCN(CCOC)c1cccc(Cl)c1CCN.
What is the InChIKey of 2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
The InChIKey is MEMRZNYOHXSEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O2/c1-19-11-4-9-18(10-12-20-2)15-6-3-5-14(16)13(15)7-8-17/h3,5-6H,4,7-12,17H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline has a molecular weight of 300.83 g/mol, XLogP of 2.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline is sourced from PubChem (CID 63786522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).