N-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine

C14H16Cl2N4O — CID 62451969

IUPACN-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESClc1cccc(OCCn2cc(CNC3CC3)nn2)c1Cl
InChIInChI=1S/C14H16Cl2N4O/c15-12-2-1-3-13(14(12)16)21-7-6-20-9-11(18-19-20)8-17-10-4-5-10/h1-3,9-10,17H,4-8H2
InChIKeyYODDLCWCJVMAGR-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.92
Rot. Bonds7

About N-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine

N-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 62451969) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is N-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID62451969
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC NameN-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESClc1cccc(OCCn2cc(CNC3CC3)nn2)c1Cl
InChIInChI=1S/C14H16Cl2N4O/c15-12-2-1-3-13(14(12)16)21-7-6-20-9-11(18-19-20)8-17-10-4-5-10/h1-3,9-10,17H,4-8H2
InChIKeyYODDLCWCJVMAGR-UHFFFAOYSA-N
XLogP2.92
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methanamine
CID 55078167
N-[[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62460816
N-[[1-[2-(2-bromo-4-methylphenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62460693
N-[[1-(2-pyridin-3-yloxyethyl)triazol-4-yl]methyl]cyclopropanamine
CID 62451750
N-[[1-[2-[(3-chlorophenyl)methoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 65125840
N-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine
CID 62444055
N-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine
CID 62451053
N-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62444388
N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine
CID 66193410
N-[[1-[2-[(4-bromophenyl)methoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 82807547
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 104795563
2-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]ethanol
CID 55066947

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine (CID 62451969) is N-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine is Clc1cccc(OCCn2cc(CNC3CC3)nn2)c1Cl.
What is the InChIKey of N-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is YODDLCWCJVMAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c15-12-2-1-3-13(14(12)16)21-7-6-20-9-11(18-19-20)8-17-10-4-5-10/h1-3,9-10,17H,4-8H2.
What are the key properties of N-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 327.22 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62451969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).