2-[4-[2-(2-chloro-5-methylphenoxy)ethoxy]phenyl]ethanamine

C17H20ClNO2 — CID 43531012

IUPAC2-[4-[2-(2-chloro-5-methylphenoxy)ethoxy]phenyl]ethanamine
SMILESCc1ccc(Cl)c(OCCOc2ccc(CCN)cc2)c1
InChIInChI=1S/C17H20ClNO2/c1-13-2-7-16(18)17(12-13)21-11-10-20-15-5-3-14(4-6-15)8-9-19/h2-7,12H,8-11,19H2,1H3
InChIKeyNNUNMAAKEDVVLN-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.61
Rot. Bonds7

About 2-[4-[2-(2-chloro-5-methylphenoxy)ethoxy]phenyl]ethanamine

2-[4-[2-(2-chloro-5-methylphenoxy)ethoxy]phenyl]ethanamine (PubChem CID 43531012) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[4-[2-(2-chloro-5-methylphenoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(2-chloro-5-methylphenoxy)ethoxy]phenyl]ethanamine
PubChem CID43531012
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-[4-[2-(2-chloro-5-methylphenoxy)ethoxy]phenyl]ethanamine
SMILESCc1ccc(Cl)c(OCCOc2ccc(CCN)cc2)c1
InChIInChI=1S/C17H20ClNO2/c1-13-2-7-16(18)17(12-13)21-11-10-20-15-5-3-14(4-6-15)8-9-19/h2-7,12H,8-11,19H2,1H3
InChIKeyNNUNMAAKEDVVLN-UHFFFAOYSA-N
XLogP3.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.61
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-[4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 63801979
2-[4-[2-(2-chloro-4-fluorophenoxy)ethoxy]phenyl]ethanamine
CID 60971172
1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2284223
4-[2-(2-chloro-5-methylphenoxy)ethoxy]benzonitrile
CID 43213511
[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine
CID 20988768
2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
CID 39399728
[3-[3-(2-chloro-5-methylphenoxy)propoxy]phenyl]methanamine
CID 43531016
N'-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2276700
[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 20992565
2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353296
[4-[3-(2-fluoro-5-methylphenoxy)propoxy]phenyl]methanamine
CID 64856154
1,4-dichloro-2-[2-(4-methoxyphenyl)ethoxy]benzene
CID 71628376

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-chloro-5-methylphenoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[2-(2-chloro-5-methylphenoxy)ethoxy]phenyl]ethanamine (CID 43531012) is 2-[4-[2-(2-chloro-5-methylphenoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[2-(2-chloro-5-methylphenoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[2-(2-chloro-5-methylphenoxy)ethoxy]phenyl]ethanamine is Cc1ccc(Cl)c(OCCOc2ccc(CCN)cc2)c1.
What is the InChIKey of 2-[4-[2-(2-chloro-5-methylphenoxy)ethoxy]phenyl]ethanamine?
The InChIKey is NNUNMAAKEDVVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-13-2-7-16(18)17(12-13)21-11-10-20-15-5-3-14(4-6-15)8-9-19/h2-7,12H,8-11,19H2,1H3.
What are the key properties of 2-[4-[2-(2-chloro-5-methylphenoxy)ethoxy]phenyl]ethanamine?
2-[4-[2-(2-chloro-5-methylphenoxy)ethoxy]phenyl]ethanamine has a molecular weight of 305.81 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-chloro-5-methylphenoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 43531012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).