N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine

C13H17N3 — CID 11820597

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
SMILESc1ccc(CCNCCc2cnc[nH]2)cc1
InChIInChI=1S/C13H17N3/c1-2-4-12(5-3-1)6-8-14-9-7-13-10-15-11-16-13/h1-5,10-11,14H,6-9H2,(H,15,16)
InChIKeyTVVCLRCNSHNLOG-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.78
Rot. Bonds6

About N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine

N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine (PubChem CID 11820597) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
PubChem CID11820597
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
SMILESc1ccc(CCNCCc2cnc[nH]2)cc1
InChIInChI=1S/C13H17N3/c1-2-4-12(5-3-1)6-8-14-9-7-13-10-15-11-16-13/h1-5,10-11,14H,6-9H2,(H,15,16)
InChIKeyTVVCLRCNSHNLOG-UHFFFAOYSA-N
XLogP1.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.78
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-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine
CID 10377137
5-(3-phenylpropyl)-1H-imidazole
CID 10035345
N-benzyl-5-[2-(1H-imidazol-5-yl)ethylamino]pentanamide
CID 24755417
N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine
CID 102056012
N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-(1H-imidazol-5-yl)ethanamine
CID 11741669
2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 65230734
N-(2-phenylethyl)-1H-imidazol-5-amine
CID 23213470
N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride
CID 70625954
2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62763703
2-(1H-imidazol-5-yl)ethyl N'-methyl-N-(2-phenylethyl)carbamimidothioate
CID 10062660
N-(1H-imidazol-5-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 62761782
5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole
CID 10850088

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine (CID 11820597) is N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine is c1ccc(CCNCCc2cnc[nH]2)cc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine?
The InChIKey is TVVCLRCNSHNLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-4-12(5-3-1)6-8-14-9-7-13-10-15-11-16-13/h1-5,10-11,14H,6-9H2,(H,15,16).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine?
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine has a molecular weight of 215.30 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine is sourced from PubChem (CID 11820597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).