2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine

C16H18ClNO — CID 55020668

IUPAC2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(CN)Oc2cc(C)ccc2Cl)c1
InChIInChI=1S/C16H18ClNO/c1-11-4-3-5-13(8-11)16(10-18)19-15-9-12(2)6-7-14(15)17/h3-9,16H,10,18H2,1-2H3
InChIKeyMRFGIWGRQLYFNQ-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.04
Rot. Bonds4

About 2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine

2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine (PubChem CID 55020668) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine
PubChem CID55020668
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(CN)Oc2cc(C)ccc2Cl)c1
InChIInChI=1S/C16H18ClNO/c1-11-4-3-5-13(8-11)16(10-18)19-15-9-12(2)6-7-14(15)17/h3-9,16H,10,18H2,1-2H3
InChIKeyMRFGIWGRQLYFNQ-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-methylphenoxy)-2-phenylethanamine
CID 55017590
2-(4-chloro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 55020229
2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine
CID 55019513
2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine
CID 55020468
2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 107656247
1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460298
2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
CID 55017730
2-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 55019896
2-(2-fluoro-5-methylphenoxy)-2-phenylethanamine
CID 64854414
3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline
CID 61262210
2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine
CID 55015152
2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine
CID 55019612

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine (CID 55020668) is 2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine is Cc1cccc(C(CN)Oc2cc(C)ccc2Cl)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine?
The InChIKey is MRFGIWGRQLYFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-4-3-5-13(8-11)16(10-18)19-15-9-12(2)6-7-14(15)17/h3-9,16H,10,18H2,1-2H3.
What are the key properties of 2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine?
2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine has a molecular weight of 275.78 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 55020668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).