2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine

C17H20ClNO — CID 115957754

IUPAC2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
SMILESCc1ccc(C)c(COc2c(Cl)cccc2CCN)c1
InChIInChI=1S/C17H20ClNO/c1-12-6-7-13(2)15(10-12)11-20-17-14(8-9-19)4-3-5-16(17)18/h3-7,10H,8-9,11,19H2,1-2H3
InChIKeyVOKJGJMRMODMKM-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.04
Rot. Bonds5

About 2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine

2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine (PubChem CID 115957754) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
PubChem CID115957754
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
SMILESCc1ccc(C)c(COc2c(Cl)cccc2CCN)c1
InChIInChI=1S/C17H20ClNO/c1-12-6-7-13(2)15(10-12)11-20-17-14(8-9-19)4-3-5-16(17)18/h3-7,10H,8-9,11,19H2,1-2H3
InChIKeyVOKJGJMRMODMKM-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(bromomethyl)-3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzene
CID 112613816
2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 61482172
2-[3-chloro-2-(3-methylphenoxy)phenyl]ethanamine
CID 114070200
3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzoic acid
CID 115955919
2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
CID 115957801
2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 112615109
2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 61482133
[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 112607698
1-chloro-3-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methoxy]benzene
CID 115956557
2-[3-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 112615108
2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine
CID 60905689
2-(bromomethyl)-1-chloro-3-[(2,5-dimethylphenyl)methoxy]benzene
CID 113276988

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine (CID 115957754) is 2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine is Cc1ccc(C)c(COc2c(Cl)cccc2CCN)c1.
What is the InChIKey of 2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is VOKJGJMRMODMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12-6-7-13(2)15(10-12)11-20-17-14(8-9-19)4-3-5-16(17)18/h3-7,10H,8-9,11,19H2,1-2H3.
What are the key properties of 2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine?
2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 115957754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).