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

C14H17ClN4O — CID 62460816

IUPACN-[[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESClc1cccc(OCCn2cc(CNC3CC3)nn2)c1
InChIInChI=1S/C14H17ClN4O/c15-11-2-1-3-14(8-11)20-7-6-19-10-13(17-18-19)9-16-12-4-5-12/h1-3,8,10,12,16H,4-7,9H2
InChIKeyASLGZIFPFVYLQK-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.26
Rot. Bonds7

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

N-[[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 62460816) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID62460816
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC NameN-[[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESClc1cccc(OCCn2cc(CNC3CC3)nn2)c1
InChIInChI=1S/C14H17ClN4O/c15-11-2-1-3-14(8-11)20-7-6-19-10-13(17-18-19)9-16-12-4-5-12/h1-3,8,10,12,16H,4-7,9H2
InChIKeyASLGZIFPFVYLQK-UHFFFAOYSA-N
XLogP2.26
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-[(3-chlorophenyl)methoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 65125840
N-[[1-(2-pyridin-3-yloxyethyl)triazol-4-yl]methyl]cyclopropanamine
CID 62451750
N-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62451969
4-(2-chloroethyl)-1-[2-(3-chlorophenoxy)ethyl]triazole
CID 62401195
N-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193798
3-[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]propanoic acid
CID 107460606
N-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine
CID 62444055
N-[[1-[2-(2-bromo-4-methylphenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62460693
1-[2-(3-chlorophenoxy)ethyl]triazole-4-carbaldehyde
CID 66215814
2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62452374
N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 62452373
N-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62444388

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine (CID 62460816) is N-[[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine is Clc1cccc(OCCn2cc(CNC3CC3)nn2)c1.
What is the InChIKey of N-[[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is ASLGZIFPFVYLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c15-11-2-1-3-14(8-11)20-7-6-19-10-13(17-18-19)9-16-12-4-5-12/h1-3,8,10,12,16H,4-7,9H2.
What are the key properties of N-[[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 292.77 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62460816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).