4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline

C14H20N4 — CID 63013171

IUPAC4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline
SMILESCC(c1ccc(N)cc1)N(C)Cc1nccn1C
InChIInChI=1S/C14H20N4/c1-11(12-4-6-13(15)7-5-12)18(3)10-14-16-8-9-17(14)2/h4-9,11H,10,15H2,1-3H3
InChIKeyFURPJWXLMBFPAP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.20
Rot. Bonds4

About 4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline

4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline (PubChem CID 63013171) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline.

Molecular Properties

Compound Name4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline
PubChem CID63013171
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline
SMILESCC(c1ccc(N)cc1)N(C)Cc1nccn1C
InChIInChI=1S/C14H20N4/c1-11(12-4-6-13(15)7-5-12)18(3)10-14-16-8-9-17(14)2/h4-9,11H,10,15H2,1-3H3
InChIKeyFURPJWXLMBFPAP-UHFFFAOYSA-N
XLogP2.20
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
(1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 97211639
1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 75369079
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 106695562
4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 78935414
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine
CID 64708051
1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-1-thiophen-3-ylpropane-1,2-diamine
CID 63013897
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
2-(difluoromethyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
CID 63735656
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine
CID 63015333
1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63013718
1-(3-bromo-4-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 63013570

Frequently Asked Questions

What is the IUPAC name of 4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline?
The IUPAC name of 4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline (CID 63013171) is 4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline.
What is the SMILES notation for 4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline?
The canonical SMILES for 4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline is CC(c1ccc(N)cc1)N(C)Cc1nccn1C.
What is the InChIKey of 4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline?
The InChIKey is FURPJWXLMBFPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11(12-4-6-13(15)7-5-12)18(3)10-14-16-8-9-17(14)2/h4-9,11H,10,15H2,1-3H3.
What are the key properties of 4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline?
4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline has a molecular weight of 244.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline is sourced from PubChem (CID 63013171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).