N-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine

C16H23N3 — CID 81023984

IUPACN-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine
SMILESCCCn1ccnc1CC(CNC)c1ccccc1
InChIInChI=1S/C16H23N3/c1-3-10-19-11-9-18-16(19)12-15(13-17-2)14-7-5-4-6-8-14/h4-9,11,15,17H,3,10,12-13H2,1-2H3
InChIKeyACQBAVSBHIIIPP-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.84
Rot. Bonds7

About N-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine

N-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine (PubChem CID 81023984) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine
PubChem CID81023984
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine
SMILESCCCn1ccnc1CC(CNC)c1ccccc1
InChIInChI=1S/C16H23N3/c1-3-10-19-11-9-18-16(19)12-15(13-17-2)14-7-5-4-6-8-14/h4-9,11,15,17H,3,10,12-13H2,1-2H3
InChIKeyACQBAVSBHIIIPP-UHFFFAOYSA-N
XLogP2.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine
CID 81016215
N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79751946
1-decyl-2-(2,4-diphenylbutyl)imidazole
CID 69388019
2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine
CID 62443341
2-methyl-N-[3-(1-methylimidazol-2-yl)-2-phenylpropyl]propan-2-amine
CID 81024683
1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol
CID 79761213
N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79751880
N,4-dimethyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79752057
[1-(2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105211188
1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 106848789
[1-(2-iodophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323366
1-(3-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79744778

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine?
The IUPAC name of N-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine (CID 81023984) is N-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine is CCCn1ccnc1CC(CNC)c1ccccc1.
What is the InChIKey of N-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine?
The InChIKey is ACQBAVSBHIIIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-10-19-11-9-18-16(19)12-15(13-17-2)14-7-5-4-6-8-14/h4-9,11,15,17H,3,10,12-13H2,1-2H3.
What are the key properties of N-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine?
N-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 81023984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).