2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride

C16H20ClNO — CID 162339872

IUPAC2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride
SMILESCc1ccc(OCC(N)c2ccccc2)cc1C.Cl
InChIInChI=1S/C16H19NO.ClH/c1-12-8-9-15(10-13(12)2)18-11-16(17)14-6-4-3-5-7-14;/h3-10,16H,11,17H2,1-2H3;1H
InChIKeyWKEUEYBIQWQBHA-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.80
Rot. Bonds4

About 2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride

2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride (PubChem CID 162339872) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride
PubChem CID162339872
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride
SMILESCc1ccc(OCC(N)c2ccccc2)cc1C.Cl
InChIInChI=1S/C16H19NO.ClH/c1-12-8-9-15(10-13(12)2)18-11-16(17)14-6-4-3-5-7-14;/h3-10,16H,11,17H2,1-2H3;1H
InChIKeyWKEUEYBIQWQBHA-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenoxy)-1-phenylethanamine
CID 16786157
2-(3,4-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine
CID 16784581
(1S)-2-phenoxy-1-phenylethanamine;hydrochloride
CID 131882540
2-(3-ethoxyphenoxy)-1-phenylethanamine
CID 62335579
2-(3,4-difluorophenoxy)-1-phenylethanamine
CID 63772754
(1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride
CID 164614673
4-(2,2-dimethoxyethoxy)-1,2-dimethylbenzene
CID 66223394
2-(3-ethylphenoxy)-1-phenylethanamine
CID 43211626
2-(3-tert-butylphenoxy)-1-phenylethanamine
CID 43351796
2-(4-bromophenoxy)-1-phenylethanamine
CID 63771219
(1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine
CID 10377047
2-(4-chloro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 63500552

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride?
The IUPAC name of 2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride (CID 162339872) is 2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride is Cc1ccc(OCC(N)c2ccccc2)cc1C.Cl.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride?
The InChIKey is WKEUEYBIQWQBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.ClH/c1-12-8-9-15(10-13(12)2)18-11-16(17)14-6-4-3-5-7-14;/h3-10,16H,11,17H2,1-2H3;1H.
What are the key properties of 2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride?
2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride is sourced from PubChem (CID 162339872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).