1-(3,5-dimethylphenyl)-2-phenylethanamine

C16H19N — CID 60917697

IUPAC1-(3,5-dimethylphenyl)-2-phenylethanamine
SMILESCc1cc(C)cc(C(N)Cc2ccccc2)c1
InChIInChI=1S/C16H19N/c1-12-8-13(2)10-15(9-12)16(17)11-14-6-4-3-5-7-14/h3-10,16H,11,17H2,1-2H3
InChIKeyMCMDZOSFJKMIAB-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.55
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-2-phenylethanamine

1-(3,5-dimethylphenyl)-2-phenylethanamine (PubChem CID 60917697) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-phenylethanamine
PubChem CID60917697
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name1-(3,5-dimethylphenyl)-2-phenylethanamine
SMILESCc1cc(C)cc(C(N)Cc2ccccc2)c1
InChIInChI=1S/C16H19N/c1-12-8-13(2)10-15(9-12)16(17)11-14-6-4-3-5-7-14/h3-10,16H,11,17H2,1-2H3
InChIKeyMCMDZOSFJKMIAB-UHFFFAOYSA-N
XLogP3.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis(3,5-dimethylphenyl)ethanamine
CID 55096005
(1S,2R)-1-amino-1-(3,5-dimethylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267421
2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 55086765
1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 113460856
2-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 63414806
1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine
CID 63527361
1-(3-chloro-4-methylphenyl)-2-phenylethanamine
CID 55162176
2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704483
1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
CID 116543879
2-(4-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 81323419
1-(3-bromo-5-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 104853137
2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine
CID 61030374

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-phenylethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-phenylethanamine (CID 60917697) is 1-(3,5-dimethylphenyl)-2-phenylethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-phenylethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-phenylethanamine is Cc1cc(C)cc(C(N)Cc2ccccc2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-phenylethanamine?
The InChIKey is MCMDZOSFJKMIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-12-8-13(2)10-15(9-12)16(17)11-14-6-4-3-5-7-14/h3-10,16H,11,17H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-phenylethanamine?
1-(3,5-dimethylphenyl)-2-phenylethanamine has a molecular weight of 225.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-phenylethanamine is sourced from PubChem (CID 60917697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).