2,4-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline

C15H21N3 — CID 66130271

IUPAC2,4-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
SMILESCc1ccc(NCc2cncn2C(C)C)c(C)c1
InChIInChI=1S/C15H21N3/c1-11(2)18-10-16-8-14(18)9-17-15-6-5-12(3)7-13(15)4/h5-8,10-11,17H,9H2,1-4H3
InChIKeyYLLIWQOMEAZFJN-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.69
Rot. Bonds4

About 2,4-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline

2,4-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline (PubChem CID 66130271) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
PubChem CID66130271
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2,4-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
SMILESCc1ccc(NCc2cncn2C(C)C)c(C)c1
InChIInChI=1S/C15H21N3/c1-11(2)18-10-16-8-14(18)9-17-15-6-5-12(3)7-13(15)4/h5-8,10-11,17H,9H2,1-4H3
InChIKeyYLLIWQOMEAZFJN-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66130677
2-methoxy-4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66164345
2-chloro-5-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 107631241
4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66129675
5-chloro-2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66130068
2,4,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66162980
methyl 4-methyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]benzoate
CID 66130097
3-bromo-4-[(3-propan-2-ylimidazol-4-yl)methylamino]benzonitrile
CID 66129909
(1R)-1-(3-methylphenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
CID 81363404
2-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]benzenesulfonamide
CID 66129478
N-[(3-propan-2-ylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 66130072
2-chloro-4,5-dimethoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66131103

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline?
The IUPAC name of 2,4-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline (CID 66130271) is 2,4-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 2,4-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 2,4-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline is Cc1ccc(NCc2cncn2C(C)C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline?
The InChIKey is YLLIWQOMEAZFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(2)18-10-16-8-14(18)9-17-15-6-5-12(3)7-13(15)4/h5-8,10-11,17H,9H2,1-4H3.
What are the key properties of 2,4-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline?
2,4-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline has a molecular weight of 243.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 66130271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).