3-[4-(1H-imidazol-5-yl)phenyl]-N-methylpropan-1-amine

C13H17N3 — CID 115029297

IUPAC3-[4-(1H-imidazol-5-yl)phenyl]-N-methylpropan-1-amine
SMILESCNCCCc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C13H17N3/c1-14-8-2-3-11-4-6-12(7-5-11)13-9-15-10-16-13/h4-7,9-10,14H,2-3,8H2,1H3,(H,15,16)
InChIKeyLCTSYCVKSXPYSB-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.23
Rot. Bonds5

About 3-[4-(1H-imidazol-5-yl)phenyl]-N-methylpropan-1-amine

3-[4-(1H-imidazol-5-yl)phenyl]-N-methylpropan-1-amine (PubChem CID 115029297) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-[4-(1H-imidazol-5-yl)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(1H-imidazol-5-yl)phenyl]-N-methylpropan-1-amine
PubChem CID115029297
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-[4-(1H-imidazol-5-yl)phenyl]-N-methylpropan-1-amine
SMILESCNCCCc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C13H17N3/c1-14-8-2-3-11-4-6-12(7-5-11)13-9-15-10-16-13/h4-7,9-10,14H,2-3,8H2,1H3,(H,15,16)
InChIKeyLCTSYCVKSXPYSB-UHFFFAOYSA-N
XLogP2.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.23
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

3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
CID 19776442
N-methyl-3-[4-(3-methylimidazol-4-yl)phenyl]propan-1-amine
CID 115037430
N-methyl-3-(4-methylphenyl)propan-1-amine
CID 10953856
N-methyl-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-amine
CID 115029708
4-(1H-imidazol-5-yl)-N-pentylaniline
CID 43722360
N-[4-(1H-imidazol-5-yl)phenyl]-3-phenylpropane-1-sulfonamide
CID 110668493
4-(1H-imidazol-5-yl)-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 43722371
2-(4-ethoxyphenyl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 110668432
4-[[4-(1H-imidazol-5-yl)anilino]methyl]benzonitrile
CID 43722436
N-[(3,4-difluorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline
CID 43722402
4-(1H-imidazol-5-yl)-N-(3-methylpentan-2-yl)aniline
CID 43722361
5-(1H-imidazol-5-yl)-2-methylpyridine
CID 11586339

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-imidazol-5-yl)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 3-[4-(1H-imidazol-5-yl)phenyl]-N-methylpropan-1-amine (CID 115029297) is 3-[4-(1H-imidazol-5-yl)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[4-(1H-imidazol-5-yl)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[4-(1H-imidazol-5-yl)phenyl]-N-methylpropan-1-amine is CNCCCc1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of 3-[4-(1H-imidazol-5-yl)phenyl]-N-methylpropan-1-amine?
The InChIKey is LCTSYCVKSXPYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-14-8-2-3-11-4-6-12(7-5-11)13-9-15-10-16-13/h4-7,9-10,14H,2-3,8H2,1H3,(H,15,16).
What are the key properties of 3-[4-(1H-imidazol-5-yl)phenyl]-N-methylpropan-1-amine?
3-[4-(1H-imidazol-5-yl)phenyl]-N-methylpropan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-imidazol-5-yl)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 115029297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).