1-[3-chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine

C14H19ClN4O2 — CID 43524998

IUPAC1-[3-chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)c(OCc2nnc(C)n2C)c(OC)c1
InChIInChI=1S/C14H19ClN4O2/c1-9-17-18-13(19(9)3)8-21-14-11(15)5-10(7-16-2)6-12(14)20-4/h5-6,16H,7-8H2,1-4H3
InChIKeyWXJBOHZERYLFRI-UHFFFAOYSA-N
MW310.79 g/mol
LogP2.08
Rot. Bonds6

About 1-[3-chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine

1-[3-chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine (PubChem CID 43524998) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 1-[3-chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
PubChem CID43524998
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name1-[3-chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)c(OCc2nnc(C)n2C)c(OC)c1
InChIInChI=1S/C14H19ClN4O2/c1-9-17-18-13(19(9)3)8-21-14-11(15)5-10(7-16-2)6-12(14)20-4/h5-6,16H,7-8H2,1-4H3
InChIKeyWXJBOHZERYLFRI-UHFFFAOYSA-N
XLogP2.08
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine with MolForge

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Related Compounds

1-[3,5-dibromo-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-methylmethanamine
CID 107741967
1-[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60878921
1-[3-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608591
1-[3-chloro-5-methoxy-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 61492912
1-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 56822512
1-(3-chloro-5-methoxy-4-octoxyphenyl)-N-methylmethanamine
CID 43276494
1-[3-chloro-4-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 60878545
1-[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 17290121
6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702314
5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol
CID 62227458
1-[3-chloro-5-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]-N-methylmethanamine
CID 61492349
1-[5-bromo-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-methylmethanamine
CID 43525011

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine (CID 43524998) is 1-[3-chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine is CNCc1cc(Cl)c(OCc2nnc(C)n2C)c(OC)c1.
What is the InChIKey of 1-[3-chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine?
The InChIKey is WXJBOHZERYLFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-9-17-18-13(19(9)3)8-21-14-11(15)5-10(7-16-2)6-12(14)20-4/h5-6,16H,7-8H2,1-4H3.
What are the key properties of 1-[3-chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine?
1-[3-chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine has a molecular weight of 310.79 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 43524998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).