4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline

C14H20N4 — CID 78935414

IUPAC4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESC[C@@H](N)c1ccc(N(C)Cc2nccn2C)cc1
InChIInChI=1S/C14H20N4/c1-11(15)12-4-6-13(7-5-12)18(3)10-14-16-8-9-17(14)2/h4-9,11H,10,15H2,1-3H3/t11-/m1/s1
InChIKeyQHAIOCVJERNVTQ-LLVKDONJSA-N
MW244.34 g/mol
LogP2.08
Rot. Bonds4

About 4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline

4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline (PubChem CID 78935414) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
PubChem CID78935414
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESC[C@@H](N)c1ccc(N(C)Cc2nccn2C)cc1
InChIInChI=1S/C14H20N4/c1-11(15)12-4-6-13(7-5-12)18(3)10-14-16-8-9-17(14)2/h4-9,11H,10,15H2,1-3H3/t11-/m1/s1
InChIKeyQHAIOCVJERNVTQ-LLVKDONJSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63369043
4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 78935606
4-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63013979
5-N-methyl-5-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,5-diamine
CID 63013748
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60880506
(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 78932968
4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline
CID 63013171
2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63795220
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine
CID 64708051
6-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-3-amine
CID 83127053
1-(3,4-difluorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 107520978
(1S)-1-[5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-pyridinyl]propan-1-ol
CID 103938734

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline (CID 78935414) is 4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline is C[C@@H](N)c1ccc(N(C)Cc2nccn2C)cc1.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The InChIKey is QHAIOCVJERNVTQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N4/c1-11(15)12-4-6-13(7-5-12)18(3)10-14-16-8-9-17(14)2/h4-9,11H,10,15H2,1-3H3/t11-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline has a molecular weight of 244.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 78935414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).