2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine

C16H18ClNO — CID 55019513

IUPAC2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine
SMILESCc1ccc(C)c(OC(CN)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H18ClNO/c1-11-6-7-12(2)15(8-11)19-16(10-18)13-4-3-5-14(17)9-13/h3-9,16H,10,18H2,1-2H3
InChIKeyCRTWHTAHRQBVPX-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.04
Rot. Bonds4

About 2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine

2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine (PubChem CID 55019513) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine
PubChem CID55019513
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine
SMILESCc1ccc(C)c(OC(CN)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H18ClNO/c1-11-6-7-12(2)15(8-11)19-16(10-18)13-4-3-5-14(17)9-13/h3-9,16H,10,18H2,1-2H3
InChIKeyCRTWHTAHRQBVPX-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-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 55019896
2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 55020668
2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine
CID 63459198
2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine
CID 55020468
2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine
CID 55019612
2-(2-chloro-5-methylphenoxy)-2-phenylethanamine
CID 55017590
2-(2-fluoro-5-methylphenoxy)-2-phenylethanamine
CID 64854414
2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 107656247
[4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol
CID 107742711
2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine
CID 63458293
2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
CID 55017730
2-(3-bromophenyl)-2-(2,4-dichlorophenoxy)ethanamine
CID 55193005

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine (CID 55019513) is 2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine is Cc1ccc(C)c(OC(CN)c2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine?
The InChIKey is CRTWHTAHRQBVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-6-7-12(2)15(8-11)19-16(10-18)13-4-3-5-14(17)9-13/h3-9,16H,10,18H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine?
2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)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-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine is sourced from PubChem (CID 55019513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).