1-(2-ethylphenyl)-N-[3-(1H-imidazol-2-yl)propyl]propan-1-amine

C17H25N3 — CID 67750233

IUPAC1-(2-ethylphenyl)-N-[3-(1H-imidazol-2-yl)propyl]propan-1-amine
SMILESCCc1ccccc1C(CC)NCCCc1ncc[nH]1
InChIInChI=1S/C17H25N3/c1-3-14-8-5-6-9-15(14)16(4-2)18-11-7-10-17-19-12-13-20-17/h5-6,8-9,12-13,16,18H,3-4,7,10-11H2,1-2H3,(H,19,20)
InChIKeyCTGSUUACYPKAPR-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.65
Rot. Bonds8

About 1-(2-ethylphenyl)-N-[3-(1H-imidazol-2-yl)propyl]propan-1-amine

1-(2-ethylphenyl)-N-[3-(1H-imidazol-2-yl)propyl]propan-1-amine (PubChem CID 67750233) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-[3-(1H-imidazol-2-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-[3-(1H-imidazol-2-yl)propyl]propan-1-amine
PubChem CID67750233
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(2-ethylphenyl)-N-[3-(1H-imidazol-2-yl)propyl]propan-1-amine
SMILESCCc1ccccc1C(CC)NCCCc1ncc[nH]1
InChIInChI=1S/C17H25N3/c1-3-14-8-5-6-9-15(14)16(4-2)18-11-7-10-17-19-12-13-20-17/h5-6,8-9,12-13,16,18H,3-4,7,10-11H2,1-2H3,(H,19,20)
InChIKeyCTGSUUACYPKAPR-UHFFFAOYSA-N
XLogP3.65
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine
CID 167885469
N-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-amine
CID 67833845
2-butyl-1H-imidazole;hydrochloride
CID 141134528
N-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine
CID 107780572
2-amino-N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide
CID 106312735
2-octadecyl-1H-imidazole
CID 54221067
2-octyl-1H-imidazole
CID 18347297
2-dodecyl-1H-imidazole
CID 22019838
3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine
CID 114810323
2-decyl-1H-imidazole
CID 3089145
1-(4-butan-2-ylphenyl)-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 74234942
1-(2-ethylphenyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820254

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-[3-(1H-imidazol-2-yl)propyl]propan-1-amine?
The IUPAC name of 1-(2-ethylphenyl)-N-[3-(1H-imidazol-2-yl)propyl]propan-1-amine (CID 67750233) is 1-(2-ethylphenyl)-N-[3-(1H-imidazol-2-yl)propyl]propan-1-amine.
What is the SMILES notation for 1-(2-ethylphenyl)-N-[3-(1H-imidazol-2-yl)propyl]propan-1-amine?
The canonical SMILES for 1-(2-ethylphenyl)-N-[3-(1H-imidazol-2-yl)propyl]propan-1-amine is CCc1ccccc1C(CC)NCCCc1ncc[nH]1.
What is the InChIKey of 1-(2-ethylphenyl)-N-[3-(1H-imidazol-2-yl)propyl]propan-1-amine?
The InChIKey is CTGSUUACYPKAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-14-8-5-6-9-15(14)16(4-2)18-11-7-10-17-19-12-13-20-17/h5-6,8-9,12-13,16,18H,3-4,7,10-11H2,1-2H3,(H,19,20).
What are the key properties of 1-(2-ethylphenyl)-N-[3-(1H-imidazol-2-yl)propyl]propan-1-amine?
1-(2-ethylphenyl)-N-[3-(1H-imidazol-2-yl)propyl]propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-[3-(1H-imidazol-2-yl)propyl]propan-1-amine is sourced from PubChem (CID 67750233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).