3-[4-[(3,4-dimethylphenyl)methyl]-3,5-dimethylphenyl]-N-methylprop-1-en-2-amine

C21H27N — CID 153338417

IUPAC3-[4-[(3,4-dimethylphenyl)methyl]-3,5-dimethylphenyl]-N-methylprop-1-en-2-amine
SMILESC=C(Cc1cc(C)c(Cc2ccc(C)c(C)c2)c(C)c1)NC
InChIInChI=1S/C21H27N/c1-14-7-8-19(9-15(14)2)13-21-16(3)10-20(11-17(21)4)12-18(5)22-6/h7-11,22H,5,12-13H2,1-4,6H3
InChIKeyOYELAGKVCSLQGN-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.79
Rot. Bonds5

About 3-[4-[(3,4-dimethylphenyl)methyl]-3,5-dimethylphenyl]-N-methylprop-1-en-2-amine

3-[4-[(3,4-dimethylphenyl)methyl]-3,5-dimethylphenyl]-N-methylprop-1-en-2-amine (PubChem CID 153338417) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 3-[4-[(3,4-dimethylphenyl)methyl]-3,5-dimethylphenyl]-N-methylprop-1-en-2-amine.

Molecular Properties

Compound Name3-[4-[(3,4-dimethylphenyl)methyl]-3,5-dimethylphenyl]-N-methylprop-1-en-2-amine
PubChem CID153338417
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name3-[4-[(3,4-dimethylphenyl)methyl]-3,5-dimethylphenyl]-N-methylprop-1-en-2-amine
SMILESC=C(Cc1cc(C)c(Cc2ccc(C)c(C)c2)c(C)c1)NC
InChIInChI=1S/C21H27N/c1-14-7-8-19(9-15(14)2)13-21-16(3)10-20(11-17(21)4)12-18(5)22-6/h7-11,22H,5,12-13H2,1-4,6H3
InChIKeyOYELAGKVCSLQGN-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-[3-(3,4-dimethylphenyl)propyl]phenyl]-N-methylbut-1-en-2-amine
CID 167058420
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CID 169229380
N-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide
CID 115636641
1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine
CID 79185315
1-(3,4-dimethylphenyl)-5-methylhex-5-en-2-one
CID 114473536
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895
1-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine
CID 114474589
4-[(3-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylphenol
CID 66642899
methyl 3-(3,4-dimethylphenyl)-2-oxopropanoate
CID 18371052
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
(3,4-dimethylphenyl)methylboronic acid
CID 63702768
5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106778084

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,4-dimethylphenyl)methyl]-3,5-dimethylphenyl]-N-methylprop-1-en-2-amine?
The IUPAC name of 3-[4-[(3,4-dimethylphenyl)methyl]-3,5-dimethylphenyl]-N-methylprop-1-en-2-amine (CID 153338417) is 3-[4-[(3,4-dimethylphenyl)methyl]-3,5-dimethylphenyl]-N-methylprop-1-en-2-amine.
What is the SMILES notation for 3-[4-[(3,4-dimethylphenyl)methyl]-3,5-dimethylphenyl]-N-methylprop-1-en-2-amine?
The canonical SMILES for 3-[4-[(3,4-dimethylphenyl)methyl]-3,5-dimethylphenyl]-N-methylprop-1-en-2-amine is C=C(Cc1cc(C)c(Cc2ccc(C)c(C)c2)c(C)c1)NC.
What is the InChIKey of 3-[4-[(3,4-dimethylphenyl)methyl]-3,5-dimethylphenyl]-N-methylprop-1-en-2-amine?
The InChIKey is OYELAGKVCSLQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-14-7-8-19(9-15(14)2)13-21-16(3)10-20(11-17(21)4)12-18(5)22-6/h7-11,22H,5,12-13H2,1-4,6H3.
What are the key properties of 3-[4-[(3,4-dimethylphenyl)methyl]-3,5-dimethylphenyl]-N-methylprop-1-en-2-amine?
3-[4-[(3,4-dimethylphenyl)methyl]-3,5-dimethylphenyl]-N-methylprop-1-en-2-amine has a molecular weight of 293.45 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,4-dimethylphenyl)methyl]-3,5-dimethylphenyl]-N-methylprop-1-en-2-amine is sourced from PubChem (CID 153338417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).