4-chloro-N-[[2-(2-ethoxyethoxy)phenyl]methyl]aniline

C17H20ClNO2 — CID 54796330

IUPAC4-chloro-N-[[2-(2-ethoxyethoxy)phenyl]methyl]aniline
SMILESCCOCCOc1ccccc1CNc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO2/c1-2-20-11-12-21-17-6-4-3-5-14(17)13-19-16-9-7-15(18)8-10-16/h3-10,19H,2,11-13H2,1H3
InChIKeyWWXROMIOGFGYDL-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.37
Rot. Bonds8

About 4-chloro-N-[[2-(2-ethoxyethoxy)phenyl]methyl]aniline

4-chloro-N-[[2-(2-ethoxyethoxy)phenyl]methyl]aniline (PubChem CID 54796330) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-chloro-N-[[2-(2-ethoxyethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[[2-(2-ethoxyethoxy)phenyl]methyl]aniline
PubChem CID54796330
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name4-chloro-N-[[2-(2-ethoxyethoxy)phenyl]methyl]aniline
SMILESCCOCCOc1ccccc1CNc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO2/c1-2-20-11-12-21-17-6-4-3-5-14(17)13-19-16-9-7-15(18)8-10-16/h3-10,19H,2,11-13H2,1H3
InChIKeyWWXROMIOGFGYDL-UHFFFAOYSA-N
XLogP4.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.37
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

4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682
4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline
CID 39386882
4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 5201941
4-methyl-N-[(2-propoxyphenyl)methyl]aniline
CID 39357777
3-(2-ethoxyethoxy)-N-[[2-(3-methylbutoxy)phenyl]methyl]aniline
CID 54802121
4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline
CID 39422587
N-[[2-(2-ethoxyethoxy)phenyl]methyl]-2,5-dimethylaniline
CID 54797123
4-fluoro-N-[(2-pentoxyphenyl)methyl]aniline
CID 54796466
4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39455772
N-[(2-butoxyphenyl)methyl]-4-tert-butylaniline
CID 39451770
4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline
CID 54799789
4-heptoxy-N-[(2-pentoxyphenyl)methyl]aniline
CID 54799636

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-(2-ethoxyethoxy)phenyl]methyl]aniline?
The IUPAC name of 4-chloro-N-[[2-(2-ethoxyethoxy)phenyl]methyl]aniline (CID 54796330) is 4-chloro-N-[[2-(2-ethoxyethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 4-chloro-N-[[2-(2-ethoxyethoxy)phenyl]methyl]aniline?
The canonical SMILES for 4-chloro-N-[[2-(2-ethoxyethoxy)phenyl]methyl]aniline is CCOCCOc1ccccc1CNc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[2-(2-ethoxyethoxy)phenyl]methyl]aniline?
The InChIKey is WWXROMIOGFGYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-2-20-11-12-21-17-6-4-3-5-14(17)13-19-16-9-7-15(18)8-10-16/h3-10,19H,2,11-13H2,1H3.
What are the key properties of 4-chloro-N-[[2-(2-ethoxyethoxy)phenyl]methyl]aniline?
4-chloro-N-[[2-(2-ethoxyethoxy)phenyl]methyl]aniline has a molecular weight of 305.81 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-(2-ethoxyethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 54796330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).