3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline

C13H15Cl2N3 — CID 66134981

IUPAC3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3/c1-2-5-18-9-16-7-11(18)8-17-10-3-4-12(14)13(15)6-10/h3-4,6-7,9,17H,2,5,8H2,1H3
InChIKeyUXIHJACMLKMZBZ-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.21
Rot. Bonds5

About 3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline

3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline (PubChem CID 66134981) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
PubChem CID66134981
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3/c1-2-5-18-9-16-7-11(18)8-17-10-3-4-12(14)13(15)6-10/h3-4,6-7,9,17H,2,5,8H2,1H3
InChIKeyUXIHJACMLKMZBZ-UHFFFAOYSA-N
XLogP4.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol
CID 107679308
2,4,6-trichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66135198
2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132507
3-[(3-propylimidazol-4-yl)methylamino]phenol
CID 66134782
3-bromo-4-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132384
4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134569
3-methylsulfanyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134358
3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132525
4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130355
2-chloro-5-[(3-ethylimidazol-4-yl)methylamino]benzonitrile
CID 66135638
3-chloro-4-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline
CID 66134229
3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130531

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline?
The IUPAC name of 3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline (CID 66134981) is 3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline is CCCn1cncc1CNc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline?
The InChIKey is UXIHJACMLKMZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-2-5-18-9-16-7-11(18)8-17-10-3-4-12(14)13(15)6-10/h3-4,6-7,9,17H,2,5,8H2,1H3.
What are the key properties of 3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline?
3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline has a molecular weight of 284.19 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 66134981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).