N-[1-[3-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine

C16H23N3 — CID 79170436

IUPACN-[1-[3-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(-n2cnc(C)c2C)c1
InChIInChI=1S/C16H23N3/c1-5-9-17-13(3)15-7-6-8-16(10-15)19-11-18-12(2)14(19)4/h6-8,10-11,13,17H,5,9H2,1-4H3
InChIKeyZYFUOYSEMZSIRH-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.55
Rot. Bonds5

About N-[1-[3-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine

N-[1-[3-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine (PubChem CID 79170436) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[1-[3-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine
PubChem CID79170436
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[1-[3-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(-n2cnc(C)c2C)c1
InChIInChI=1S/C16H23N3/c1-5-9-17-13(3)15-7-6-8-16(10-15)19-11-18-12(2)14(19)4/h6-8,10-11,13,17H,5,9H2,1-4H3
InChIKeyZYFUOYSEMZSIRH-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine
CID 62911199
N-[1-[3-(3-methylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 79170582
1-[3-[1-(propylamino)ethyl]phenyl]-1,2,4-triazole-3-carbonitrile
CID 79170220
N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 79170432
N-[1-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]propan-1-amine
CID 79166250
3-[1-(propylamino)ethyl]benzenethiol
CID 64666341
1-(3-chlorophenyl)-4,5-dimethylimidazole
CID 125478648
N,N-dipropyl-3-[1-(propylamino)ethyl]aniline
CID 79678790
1-[3-(4,5-dimethylimidazol-1-yl)phenyl]butan-2-amine
CID 63942141
N-[[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]methyl]propan-1-amine
CID 62350576
N-[1-[3-(1-ethyl-3-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 66021648
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine (CID 79170436) is N-[1-[3-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1cccc(-n2cnc(C)c2C)c1.
What is the InChIKey of N-[1-[3-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is ZYFUOYSEMZSIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-9-17-13(3)15-7-6-8-16(10-15)19-11-18-12(2)14(19)4/h6-8,10-11,13,17H,5,9H2,1-4H3.
What are the key properties of N-[1-[3-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine?
N-[1-[3-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 79170436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).