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

C16H22N4O — CID 62444388

IUPACN-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCC(OCCn1cc(CNC2CC2)nn1)c1ccccc1
InChIInChI=1S/C16H22N4O/c1-13(14-5-3-2-4-6-14)21-10-9-20-12-16(18-19-20)11-17-15-7-8-15/h2-6,12-13,15,17H,7-11H2,1H3
InChIKeyRFWMQLDYLFPDDO-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.31
Rot. Bonds8

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

N-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 62444388) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID62444388
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCC(OCCn1cc(CNC2CC2)nn1)c1ccccc1
InChIInChI=1S/C16H22N4O/c1-13(14-5-3-2-4-6-14)21-10-9-20-12-16(18-19-20)11-17-15-7-8-15/h2-6,12-13,15,17H,7-11H2,1H3
InChIKeyRFWMQLDYLFPDDO-UHFFFAOYSA-N
XLogP2.31
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine
CID 62444055
N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine
CID 66193410
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-[(4-bromophenyl)methoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 82807547
N-[[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62460816
N-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62451969
N-[[1-[2-(2-bromo-4-methylphenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62460693
N-[[1-[2-[(3-chlorophenyl)methoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 65125840
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005
N-[[6-(1-phenylethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62292133
N-[[1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62455737

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine (CID 62444388) is N-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine is CC(OCCn1cc(CNC2CC2)nn1)c1ccccc1.
What is the InChIKey of N-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is RFWMQLDYLFPDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13(14-5-3-2-4-6-14)21-10-9-20-12-16(18-19-20)11-17-15-7-8-15/h2-6,12-13,15,17H,7-11H2,1H3.
What are the key properties of N-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 286.38 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62444388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).