N-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine

C14H17ClN4O — CID 66193225

IUPACN-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCOc1ccc(Cl)cc1Cn1cc(CNC2CC2)nn1
InChIInChI=1S/C14H17ClN4O/c1-20-14-5-2-11(15)6-10(14)8-19-9-13(17-18-19)7-16-12-3-4-12/h2,5-6,9,12,16H,3-4,7-8H2,1H3
InChIKeyZCSLTAAIAOITES-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.24
Rot. Bonds6

About N-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine

N-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 66193225) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID66193225
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC NameN-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCOc1ccc(Cl)cc1Cn1cc(CNC2CC2)nn1
InChIInChI=1S/C14H17ClN4O/c1-20-14-5-2-11(15)6-10(14)8-19-9-13(17-18-19)7-16-12-3-4-12/h2,5-6,9,12,16H,3-4,7-8H2,1H3
InChIKeyZCSLTAAIAOITES-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 104795563
N-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193798
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 62223052
N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194177
N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine
CID 66193410
1-benzyl-4-[2-(5-chloro-2-methoxyphenyl)ethyl]triazole
CID 112718716
1-[(5-chloro-2-methoxyphenyl)methyl]triazole-4-carboxylic acid
CID 62059281
1-[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]ethanamine
CID 114419411
N-[[1-(4-chloro-2-methylphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 66205065
N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine
CID 61025295
N-[[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62460816
N-[[1-[(5-chloro-2-pyridinyl)methyl]triazol-4-yl]methyl]-1-methylpiperidin-4-amine
CID 138052166

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine (CID 66193225) is N-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine is COc1ccc(Cl)cc1Cn1cc(CNC2CC2)nn1.
What is the InChIKey of N-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is ZCSLTAAIAOITES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-20-14-5-2-11(15)6-10(14)8-19-9-13(17-18-19)7-16-12-3-4-12/h2,5-6,9,12,16H,3-4,7-8H2,1H3.
What are the key properties of N-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 292.77 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66193225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).