2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline

C13H15Cl2N3 — CID 66132507

IUPAC2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3/c1-2-5-18-9-16-7-11(18)8-17-13-4-3-10(14)6-12(13)15/h3-4,6-7,9,17H,2,5,8H2,1H3
InChIKeyLYGYXNFBSNBZCL-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.21
Rot. Bonds5

About 2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline

2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline (PubChem CID 66132507) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
PubChem CID66132507
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3/c1-2-5-18-9-16-7-11(18)8-17-13-4-3-10(14)6-12(13)15/h3-4,6-7,9,17H,2,5,8H2,1H3
InChIKeyLYGYXNFBSNBZCL-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

4-chloro-1-N,1-N-dimethyl-2-N-[(3-propylimidazol-4-yl)methyl]benzene-1,2-diamine
CID 66131548
2,4,6-trichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66135198
3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134981
6-chloro-N-[(3-propylimidazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 66133355
2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130335
6-chloro-4-methyl-N-[(3-propylimidazol-4-yl)methyl]pyridin-3-amine
CID 114256350
4-chloro-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117263
2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol
CID 107679308
2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66129397
2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66135192
5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132522
4-fluoro-2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66129575

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline?
The IUPAC name of 2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline (CID 66132507) is 2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline is CCCn1cncc1CNc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline?
The InChIKey is LYGYXNFBSNBZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-2-5-18-9-16-7-11(18)8-17-13-4-3-10(14)6-12(13)15/h3-4,6-7,9,17H,2,5,8H2,1H3.
What are the key properties of 2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline?
2,4-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 2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 66132507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).