N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine

C15H21ClN4 — CID 107500896

IUPACN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
SMILESCC(c1ccccc1Cl)N(C)Cc1cn(CCN)cn1
InChIInChI=1S/C15H21ClN4/c1-12(14-5-3-4-6-15(14)16)19(2)9-13-10-20(8-7-17)11-18-13/h3-6,10-12H,7-9,17H2,1-2H3
InChIKeyPREODXABUKEMQZ-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.69
Rot. Bonds6

About N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine (PubChem CID 107500896) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
PubChem CID107500896
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
SMILESCC(c1ccccc1Cl)N(C)Cc1cn(CCN)cn1
InChIInChI=1S/C15H21ClN4/c1-12(14-5-3-4-6-15(14)16)19(2)9-13-10-20(8-7-17)11-18-13/h3-6,10-12H,7-9,17H2,1-2H3
InChIKeyPREODXABUKEMQZ-UHFFFAOYSA-N
XLogP2.69
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylpentan-3-amine
CID 107500690
N-[[2-(aminomethyl)phenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62980012
2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine
CID 79251856
1-(2-chlorophenyl)-N-[(4-chloro-2-pyridinyl)methyl]-N-methylethanamine
CID 79255628
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 107113377
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 107500807
6-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 79234609
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-ethyl-3-fluoroaniline
CID 107500828
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107500820
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62980697

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine?
The IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine (CID 107500896) is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine?
The canonical SMILES for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine is CC(c1ccccc1Cl)N(C)Cc1cn(CCN)cn1.
What is the InChIKey of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine?
The InChIKey is PREODXABUKEMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-12(14-5-3-4-6-15(14)16)19(2)9-13-10-20(8-7-17)11-18-13/h3-6,10-12H,7-9,17H2,1-2H3.
What are the key properties of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine?
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine has a molecular weight of 292.81 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 107500896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).