N-[[3-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine

C14H17ClN4O — CID 107041620

IUPACN-[[3-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCn1cc(COc2c(Cl)cccc2CNC2CC2)nn1
InChIInChI=1S/C14H17ClN4O/c1-19-8-12(17-18-19)9-20-14-10(3-2-4-13(14)15)7-16-11-5-6-11/h2-4,8,11,16H,5-7,9H2,1H3
InChIKeyYGEPCBUAODMAFI-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.30
Rot. Bonds6

About N-[[3-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine

N-[[3-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 107041620) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[[3-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID107041620
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC NameN-[[3-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCn1cc(COc2c(Cl)cccc2CNC2CC2)nn1
InChIInChI=1S/C14H17ClN4O/c1-19-8-12(17-18-19)9-20-14-10(3-2-4-13(14)15)7-16-11-5-6-11/h2-4,8,11,16H,5-7,9H2,1H3
InChIKeyYGEPCBUAODMAFI-UHFFFAOYSA-N
XLogP2.30
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953820
4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 107054010
N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine
CID 112609951
4-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-1-methyltriazole
CID 107044094
4-[(2-chlorophenoxy)methyl]-1-methyltriazole
CID 103866170
3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]propane-1,2-diol
CID 112609889
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide
CID 112609936
N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43472080
N-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide
CID 115953806
N-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62451969
3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol
CID 112609944
N-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 115953723

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine (CID 107041620) is N-[[3-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine is Cn1cc(COc2c(Cl)cccc2CNC2CC2)nn1.
What is the InChIKey of N-[[3-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is YGEPCBUAODMAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-19-8-12(17-18-19)9-20-14-10(3-2-4-13(14)15)7-16-11-5-6-11/h2-4,8,11,16H,5-7,9H2,1H3.
What are the key properties of N-[[3-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[3-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 292.77 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107041620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).