N-(1,2-diphenylethyl)-2,6-dimethylaniline

C22H23N — CID 15529270

IUPACN-(1,2-diphenylethyl)-2,6-dimethylaniline
SMILESCc1cccc(C)c1NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H23N/c1-17-10-9-11-18(2)22(17)23-21(20-14-7-4-8-15-20)16-19-12-5-3-6-13-19/h3-15,21,23H,16H2,1-2H3
InChIKeyPJKKRLGALDYIMK-UHFFFAOYSA-N
MW301.43 g/mol
LogP5.70
Rot. Bonds5

About N-(1,2-diphenylethyl)-2,6-dimethylaniline

N-(1,2-diphenylethyl)-2,6-dimethylaniline (PubChem CID 15529270) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-2,6-dimethylaniline.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-2,6-dimethylaniline
PubChem CID15529270
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC NameN-(1,2-diphenylethyl)-2,6-dimethylaniline
SMILESCc1cccc(C)c1NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H23N/c1-17-10-9-11-18(2)22(17)23-21(20-14-7-4-8-15-20)16-19-12-5-3-6-13-19/h3-15,21,23H,16H2,1-2H3
InChIKeyPJKKRLGALDYIMK-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
N-[(1S)-1,2-diphenylethyl]hydroxylamine
CID 163358827
N-(1,2-diphenylethyl)hydroxylamine
CID 82685199
N-benzhydryl-1,2-diphenylethanamine
CID 101366117
N-[(1R)-1,2-diphenylethyl]-2-methylpropan-1-amine
CID 40561608
N-(2-fluoroethyl)-1,2-diphenylethanamine
CID 113247505
N-methyl-1-(2-methylphenyl)-2-phenylethanamine
CID 60819180
N-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
N'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride
CID 70443145
N-(2-ethoxyethyl)-1,2-diphenylethanamine
CID 43403746

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-2,6-dimethylaniline?
The IUPAC name of N-(1,2-diphenylethyl)-2,6-dimethylaniline (CID 15529270) is N-(1,2-diphenylethyl)-2,6-dimethylaniline.
What is the SMILES notation for N-(1,2-diphenylethyl)-2,6-dimethylaniline?
The canonical SMILES for N-(1,2-diphenylethyl)-2,6-dimethylaniline is Cc1cccc(C)c1NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,2-diphenylethyl)-2,6-dimethylaniline?
The InChIKey is PJKKRLGALDYIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-17-10-9-11-18(2)22(17)23-21(20-14-7-4-8-15-20)16-19-12-5-3-6-13-19/h3-15,21,23H,16H2,1-2H3.
What are the key properties of N-(1,2-diphenylethyl)-2,6-dimethylaniline?
N-(1,2-diphenylethyl)-2,6-dimethylaniline has a molecular weight of 301.43 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-2,6-dimethylaniline is sourced from PubChem (CID 15529270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).