2-chloro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline

C16H18ClNO2 — CID 39399682

IUPAC2-chloro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
SMILESCOCCOc1ccccc1CNc1ccccc1Cl
InChIInChI=1S/C16H18ClNO2/c1-19-10-11-20-16-9-5-2-6-13(16)12-18-15-8-4-3-7-14(15)17/h2-9,18H,10-12H2,1H3
InChIKeyCDISBGQCMYZYGA-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.98
Rot. Bonds7

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

2-chloro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline (PubChem CID 39399682) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-chloro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
PubChem CID39399682
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-chloro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
SMILESCOCCOc1ccccc1CNc1ccccc1Cl
InChIInChI=1S/C16H18ClNO2/c1-19-10-11-20-16-9-5-2-6-13(16)12-18-15-8-4-3-7-14(15)17/h2-9,18H,10-12H2,1H3
InChIKeyCDISBGQCMYZYGA-UHFFFAOYSA-N
XLogP3.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.98
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

2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 54801593
N-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine
CID 54795963
[2-(2-methoxyethoxy)phenyl]methylhydrazine
CID 105220831
2-[(2-chloroanilino)methyl]aniline
CID 66387029
4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39455772
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2,4,6-trimethylaniline
CID 39422606
N-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine
CID 39370998
N-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 43734126
4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline
CID 54799789
3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39374232
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 61222098
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylaniline
CID 39425332

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline?
The IUPAC name of 2-chloro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline (CID 39399682) is 2-chloro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2-chloro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline?
The canonical SMILES for 2-chloro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline is COCCOc1ccccc1CNc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline?
The InChIKey is CDISBGQCMYZYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-19-10-11-20-16-9-5-2-6-13(16)12-18-15-8-4-3-7-14(15)17/h2-9,18H,10-12H2,1H3.
What are the key properties of 2-chloro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline?
2-chloro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline has a molecular weight of 291.78 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 39399682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).