N-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine

C15H19N3 — CID 166180627

IUPACN-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine
SMILESCCN(Cc1ccc(-n2ccnc2)cc1)C1CC1
InChIInChI=1S/C15H19N3/c1-2-17(14-7-8-14)11-13-3-5-15(6-4-13)18-10-9-16-12-18/h3-6,9-10,12,14H,2,7-8,11H2,1H3
InChIKeyPTKVOTRBZFNPPP-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.86
Rot. Bonds5

About N-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine

N-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine (PubChem CID 166180627) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine
PubChem CID166180627
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine
SMILESCCN(Cc1ccc(-n2ccnc2)cc1)C1CC1
InChIInChI=1S/C15H19N3/c1-2-17(14-7-8-14)11-13-3-5-15(6-4-13)18-10-9-16-12-18/h3-6,9-10,12,14H,2,7-8,11H2,1H3
InChIKeyPTKVOTRBZFNPPP-UHFFFAOYSA-N
XLogP2.86
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 78821034
N-[(4-imidazol-1-ylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615452
N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide
CID 56822078
N-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 38532650
1-(1-ethylpiperidin-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylmethanamine
CID 56701602
N-ethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 105346888
(4-imidazol-1-ylphenyl)methyl-methylazanium
CID 7157370
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 105346884
4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine
CID 62318506
N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62421837
N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
1-cycloheptyl-1-[(4-imidazol-1-ylphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10574677

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine (CID 166180627) is N-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine is CCN(Cc1ccc(-n2ccnc2)cc1)C1CC1.
What is the InChIKey of N-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine?
The InChIKey is PTKVOTRBZFNPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-17(14-7-8-14)11-13-3-5-15(6-4-13)18-10-9-16-12-18/h3-6,9-10,12,14H,2,7-8,11H2,1H3.
What are the key properties of N-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine?
N-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine has a molecular weight of 241.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 166180627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).