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

C14H19N3 — CID 66129675

IUPAC4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
SMILESCc1ccc(NCc2cncn2C(C)C)cc1
InChIInChI=1S/C14H19N3/c1-11(2)17-10-15-8-14(17)9-16-13-6-4-12(3)5-7-13/h4-8,10-11,16H,9H2,1-3H3
InChIKeyOSWABIFBEJBKOI-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.38
Rot. Bonds4

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

4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline (PubChem CID 66129675) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
PubChem CID66129675
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
SMILESCc1ccc(NCc2cncn2C(C)C)cc1
InChIInChI=1S/C14H19N3/c1-11(2)17-10-15-8-14(17)9-16-13-6-4-12(3)5-7-13/h4-8,10-11,16H,9H2,1-3H3
InChIKeyOSWABIFBEJBKOI-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-propan-2-ylimidazol-4-yl)methyl]-4-(triazol-2-yl)aniline
CID 66130925
4-(difluoromethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66130876
2,4-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66130271
N-[4-[(3-propan-2-ylimidazol-4-yl)methylamino]phenyl]propanamide
CID 66131504
2-chloro-5-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 107631241
2-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]benzenesulfonamide
CID 66129478
2-methoxy-4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66164345
2-chloro-1-N,1-N-dimethyl-4-N-[(3-propan-2-ylimidazol-4-yl)methyl]benzene-1,4-diamine
CID 66163955
1,3,5-trimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-4-amine
CID 66130679
methyl 2-chloro-5-[(3-propan-2-ylimidazol-4-yl)methylamino]benzoate
CID 66129294
5-chloro-2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66130068
4-chloro-2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66130677

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline?
The IUPAC name of 4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline (CID 66129675) is 4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline is Cc1ccc(NCc2cncn2C(C)C)cc1.
What is the InChIKey of 4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline?
The InChIKey is OSWABIFBEJBKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(2)17-10-15-8-14(17)9-16-13-6-4-12(3)5-7-13/h4-8,10-11,16H,9H2,1-3H3.
What are the key properties of 4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline?
4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline has a molecular weight of 229.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 66129675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).