N-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine

C15H20N4O — CID 62444055

IUPACN-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine
SMILESc1ccc(COCCn2cc(CNC3CC3)nn2)cc1
InChIInChI=1S/C15H20N4O/c1-2-4-13(5-3-1)12-20-9-8-19-11-15(17-18-19)10-16-14-6-7-14/h1-5,11,14,16H,6-10,12H2
InChIKeyJUUBEMPFENKUTK-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.75
Rot. Bonds8

About N-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine

N-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine (PubChem CID 62444055) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine
PubChem CID62444055
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine
SMILESc1ccc(COCCn2cc(CNC3CC3)nn2)cc1
InChIInChI=1S/C15H20N4O/c1-2-4-13(5-3-1)12-20-9-8-19-11-15(17-18-19)10-16-14-6-7-14/h1-5,11,14,16H,6-10,12H2
InChIKeyJUUBEMPFENKUTK-UHFFFAOYSA-N
XLogP1.75
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[2-[(4-bromophenyl)methoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 82807547
N-[[1-[2-[(3-chlorophenyl)methoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 65125840
N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine
CID 66193410
N-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62444388
[1-(2-phenylmethoxyethyl)triazol-4-yl]methanamine
CID 62444449
N-[[1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 115942925
N-[[1-(2-pyridin-3-yloxyethyl)triazol-4-yl]methyl]cyclopropanamine
CID 62451750
N-[[1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62455737
N-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62451969
N-[[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62460816
N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 63556927
N-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193798

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine (CID 62444055) is N-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine is c1ccc(COCCn2cc(CNC3CC3)nn2)cc1.
What is the InChIKey of N-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is JUUBEMPFENKUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-4-13(5-3-1)12-20-9-8-19-11-15(17-18-19)10-16-14-6-7-14/h1-5,11,14,16H,6-10,12H2.
What are the key properties of N-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine?
N-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 272.35 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62444055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).