1-(5-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)ethanamine

C17H20ClN — CID 105024568

IUPAC1-(5-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)ethanamine
SMILESCc1ccc(Cl)cc1C(N)Cc1c(C)cccc1C
InChIInChI=1S/C17H20ClN/c1-11-5-4-6-12(2)15(11)10-17(19)16-9-14(18)8-7-13(16)3/h4-9,17H,10,19H2,1-3H3
InChIKeyYXGFIFMWCANZJQ-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.51
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)ethanamine

1-(5-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)ethanamine (PubChem CID 105024568) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)ethanamine
PubChem CID105024568
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name1-(5-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)ethanamine
SMILESCc1ccc(Cl)cc1C(N)Cc1c(C)cccc1C
InChIInChI=1S/C17H20ClN/c1-11-5-4-6-12(2)15(11)10-17(19)16-9-14(18)8-7-13(16)3/h4-9,17H,10,19H2,1-3H3
InChIKeyYXGFIFMWCANZJQ-UHFFFAOYSA-N
XLogP4.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 105024725
2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 82883536
1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine
CID 82871275
1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine
CID 115849493
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 106866367
1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine
CID 82883386
1-(5-chloro-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019329
2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine
CID 114855471
(5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine
CID 79016195
1-(5-chloro-2-methylphenyl)pent-4-yn-1-amine
CID 115859365
1-(5-chloro-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 105014621
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 82891487

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)ethanamine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)ethanamine (CID 105024568) is 1-(5-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)ethanamine is Cc1ccc(Cl)cc1C(N)Cc1c(C)cccc1C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)ethanamine?
The InChIKey is YXGFIFMWCANZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-11-5-4-6-12(2)15(11)10-17(19)16-9-14(18)8-7-13(16)3/h4-9,17H,10,19H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)ethanamine?
1-(5-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)ethanamine has a molecular weight of 273.81 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)ethanamine is sourced from PubChem (CID 105024568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).