[3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine

C16H18ClNO2 — CID 107663669

IUPAC[3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
SMILESCCc1ccc(Oc2ccc(CN)cc2Cl)c(OC)c1
InChIInChI=1S/C16H18ClNO2/c1-3-11-4-7-15(16(9-11)19-2)20-14-6-5-12(10-18)8-13(14)17/h4-9H,3,10,18H2,1-2H3
InChIKeyUXESEULHDPZRPD-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.16
Rot. Bonds5

About [3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine

[3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine (PubChem CID 107663669) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is [3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
PubChem CID107663669
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name[3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
SMILESCCc1ccc(Oc2ccc(CN)cc2Cl)c(OC)c1
InChIInChI=1S/C16H18ClNO2/c1-3-11-4-7-15(16(9-11)19-2)20-14-6-5-12(10-18)8-13(14)17/h4-9H,3,10,18H2,1-2H3
InChIKeyUXESEULHDPZRPD-UHFFFAOYSA-N
XLogP4.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663676
2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine
CID 107668910
(4-chloro-3-methoxyphenyl)methanamine;hydrochloride
CID 19701901
[4-(4-bromo-2-chlorophenoxy)-3-chlorophenyl]methanamine
CID 63458084
[2-(4-ethyl-2-methoxyphenoxy)-6-methyl-4-pyridinyl]methanamine
CID 107663652
[3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine
CID 63088683
[3-chloro-4-[(6-methoxy-2-pyridinyl)oxy]phenyl]methanamine
CID 63590629
1-[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 107666852
4-(2-chloro-4-ethylphenoxy)aniline
CID 22413866
[4-[2-chloro-4-(methylaminomethyl)phenoxy]-3-methoxyphenyl]methanol
CID 107743646
(3-chloro-4-nonoxyphenyl)methanamine
CID 63404558
[3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine
CID 63087182

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine?
The IUPAC name of [3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine (CID 107663669) is [3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine?
The canonical SMILES for [3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine is CCc1ccc(Oc2ccc(CN)cc2Cl)c(OC)c1.
What is the InChIKey of [3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine?
The InChIKey is UXESEULHDPZRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-3-11-4-7-15(16(9-11)19-2)20-14-6-5-12(10-18)8-13(14)17/h4-9H,3,10,18H2,1-2H3.
What are the key properties of [3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine?
[3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine has a molecular weight of 291.78 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine is sourced from PubChem (CID 107663669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).