2-[4-(2,6-dimethylphenyl)phenyl]ethanamine

C16H19N — CID 82038957

IUPAC2-[4-(2,6-dimethylphenyl)phenyl]ethanamine
SMILESCc1cccc(C)c1-c1ccc(CCN)cc1
InChIInChI=1S/C16H19N/c1-12-4-3-5-13(2)16(12)15-8-6-14(7-9-15)10-11-17/h3-9H,10-11,17H2,1-2H3
InChIKeyKKAHTLDMROBWEV-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.47
Rot. Bonds3

About 2-[4-(2,6-dimethylphenyl)phenyl]ethanamine

2-[4-(2,6-dimethylphenyl)phenyl]ethanamine (PubChem CID 82038957) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[4-(2,6-dimethylphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,6-dimethylphenyl)phenyl]ethanamine
PubChem CID82038957
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name2-[4-(2,6-dimethylphenyl)phenyl]ethanamine
SMILESCc1cccc(C)c1-c1ccc(CCN)cc1
InChIInChI=1S/C16H19N/c1-12-4-3-5-13(2)16(12)15-8-6-14(7-9-15)10-11-17/h3-9H,10-11,17H2,1-2H3
InChIKeyKKAHTLDMROBWEV-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methanamine;2-(4-methylphenyl)ethanamine
CID 144589082
2-[4-(3-chloro-4-methylphenyl)phenyl]ethanamine
CID 110282226
2-(4-phenylphenyl)ethanamine;(4-phenylphenyl)methanamine
CID 160539387
formaldehyde;2-(4-methylphenyl)ethanamine
CID 142897602
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethanamine
CID 82039739
2-[3-(4-methylphenyl)phenyl]ethanamine
CID 66523842
2-[4-(2-phenylethyl)phenyl]ethanamine
CID 15036636
2-[4-(4-methylphenoxy)phenyl]ethanamine
CID 20985599
2-(2-chloro-6-methylphenyl)ethanamine
CID 84731855
2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 16775885

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethylphenyl)phenyl]ethanamine?
The IUPAC name of 2-[4-(2,6-dimethylphenyl)phenyl]ethanamine (CID 82038957) is 2-[4-(2,6-dimethylphenyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(2,6-dimethylphenyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(2,6-dimethylphenyl)phenyl]ethanamine is Cc1cccc(C)c1-c1ccc(CCN)cc1.
What is the InChIKey of 2-[4-(2,6-dimethylphenyl)phenyl]ethanamine?
The InChIKey is KKAHTLDMROBWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-12-4-3-5-13(2)16(12)15-8-6-14(7-9-15)10-11-17/h3-9H,10-11,17H2,1-2H3.
What are the key properties of 2-[4-(2,6-dimethylphenyl)phenyl]ethanamine?
2-[4-(2,6-dimethylphenyl)phenyl]ethanamine has a molecular weight of 225.33 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethylphenyl)phenyl]ethanamine is sourced from PubChem (CID 82038957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).