N-(1H-imidazol-5-ylmethyl)-2-(3-methylphenyl)ethanamine

C13H17N3 — CID 62761782

IUPACN-(1H-imidazol-5-ylmethyl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CCNCc2cnc[nH]2)c1
InChIInChI=1S/C13H17N3/c1-11-3-2-4-12(7-11)5-6-14-8-13-9-15-10-16-13/h2-4,7,9-10,14H,5-6,8H2,1H3,(H,15,16)
InChIKeyQPVQJMODRYEVFQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.05
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-2-(3-methylphenyl)ethanamine

N-(1H-imidazol-5-ylmethyl)-2-(3-methylphenyl)ethanamine (PubChem CID 62761782) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-(3-methylphenyl)ethanamine
PubChem CID62761782
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CCNCc2cnc[nH]2)c1
InChIInChI=1S/C13H17N3/c1-11-3-2-4-12(7-11)5-6-14-8-13-9-15-10-16-13/h2-4,7,9-10,14H,5-6,8H2,1H3,(H,15,16)
InChIKeyQPVQJMODRYEVFQ-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
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

N-(1H-imidazol-5-ylmethyl)-1-(3-methylphenyl)methanamine
CID 62762804
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 55062757
2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62763703
N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62314975
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
N-[(2-bromophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 55062660
2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 64988409
4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
CID 62314610
1-(3-chloro-4-methylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 106816903
3-[[2-(1H-imidazol-5-yl)ethylamino]methyl]benzamide
CID 65232486
N-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 63002267

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-(3-methylphenyl)ethanamine (CID 62761782) is N-(1H-imidazol-5-ylmethyl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-(3-methylphenyl)ethanamine is Cc1cccc(CCNCc2cnc[nH]2)c1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-(3-methylphenyl)ethanamine?
The InChIKey is QPVQJMODRYEVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11-3-2-4-12(7-11)5-6-14-8-13-9-15-10-16-13/h2-4,7,9-10,14H,5-6,8H2,1H3,(H,15,16).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-(3-methylphenyl)ethanamine?
N-(1H-imidazol-5-ylmethyl)-2-(3-methylphenyl)ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 62761782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).