[4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine

C14H22ClNO4 — CID 104559812

IUPAC[4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
SMILESCOCCOCCOCCOc1cc(Cl)ccc1CN
InChIInChI=1S/C14H22ClNO4/c1-17-4-5-18-6-7-19-8-9-20-14-10-13(15)3-2-12(14)11-16/h2-3,10H,4-9,11,16H2,1H3
InChIKeyNRKZMDZWXGAUEC-UHFFFAOYSA-N
MW303.79 g/mol
LogP1.86
Rot. Bonds11

About [4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine

[4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine (PubChem CID 104559812) has the molecular formula C14H22ClNO4 and a molecular weight of 303.79 g/mol. Its IUPAC name is [4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
PubChem CID104559812
Molecular FormulaC14H22ClNO4
Molecular Weight303.79 g/mol
Exact Mass303.12
IUPAC Name[4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
SMILESCOCCOCCOCCOc1cc(Cl)ccc1CN
InChIInChI=1S/C14H22ClNO4/c1-17-4-5-18-6-7-19-8-9-20-14-10-13(15)3-2-12(14)11-16/h2-3,10H,4-9,11,16H2,1H3
InChIKeyNRKZMDZWXGAUEC-UHFFFAOYSA-N
XLogP1.86
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-chloro-2-(2-propoxyethoxy)phenyl]methanamine
CID 63686142
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103411486
1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
CID 104563243
5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 103176787
2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene
CID 43142012
[4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 114322356
[2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 107275281
[4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 55179828
4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402738
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104565556
[4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol
CID 86247130

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine?
The IUPAC name of [4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine (CID 104559812) is [4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine?
The canonical SMILES for [4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine is COCCOCCOCCOc1cc(Cl)ccc1CN.
What is the InChIKey of [4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine?
The InChIKey is NRKZMDZWXGAUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO4/c1-17-4-5-18-6-7-19-8-9-20-14-10-13(15)3-2-12(14)11-16/h2-3,10H,4-9,11,16H2,1H3.
What are the key properties of [4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine?
[4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine has a molecular weight of 303.79 g/mol, XLogP of 1.86, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine is sourced from PubChem (CID 104559812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).