[5-chloro-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-methoxyphenyl]methanamine

C14H17Cl2N3O2 — CID 104664220

IUPAC[5-chloro-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-methoxyphenyl]methanamine
SMILESCOc1cc(Cl)cc(CN)c1OCc1c(Cl)c(C)nn1C
InChIInChI=1S/C14H17Cl2N3O2/c1-8-13(16)11(19(2)18-8)7-21-14-9(6-17)4-10(15)5-12(14)20-3/h4-5H,6-7,17H2,1-3H3
InChIKeyCTTAMTFINVNIFU-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.08
Rot. Bonds5

About [5-chloro-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-methoxyphenyl]methanamine

[5-chloro-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-methoxyphenyl]methanamine (PubChem CID 104664220) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is [5-chloro-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-methoxyphenyl]methanamine
PubChem CID104664220
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name[5-chloro-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-methoxyphenyl]methanamine
SMILESCOc1cc(Cl)cc(CN)c1OCc1c(Cl)c(C)nn1C
InChIInChI=1S/C14H17Cl2N3O2/c1-8-13(16)11(19(2)18-8)7-21-14-9(6-17)4-10(15)5-12(14)20-3/h4-5H,6-7,17H2,1-3H3
InChIKeyCTTAMTFINVNIFU-UHFFFAOYSA-N
XLogP3.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-dimethylpyrazole
CID 112613378
[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-fluorophenyl]methanamine
CID 107686227
(5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanamine
CID 104664287
[5-chloro-3-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanamine
CID 104664167
(5-chloro-2-hexoxy-3-methoxyphenyl)methanamine
CID 104664304
(2-but-2-ynoxy-5-chloro-3-methoxyphenyl)methanamine
CID 104664143
[5-chloro-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
CID 104664282
5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1-methyl-1,2,4-triazole
CID 113438882
[5-chloro-3-methoxy-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 104664190
(4-chloro-1,3-dimethylpyrazol-5-yl)methyl 4-amino-3-methoxybenzoate
CID 104784217
[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]methanamine
CID 104664127
O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine
CID 79427033

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-methoxyphenyl]methanamine?
The IUPAC name of [5-chloro-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-methoxyphenyl]methanamine (CID 104664220) is [5-chloro-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-methoxyphenyl]methanamine.
What is the SMILES notation for [5-chloro-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-methoxyphenyl]methanamine?
The canonical SMILES for [5-chloro-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-methoxyphenyl]methanamine is COc1cc(Cl)cc(CN)c1OCc1c(Cl)c(C)nn1C.
What is the InChIKey of [5-chloro-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-methoxyphenyl]methanamine?
The InChIKey is CTTAMTFINVNIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c1-8-13(16)11(19(2)18-8)7-21-14-9(6-17)4-10(15)5-12(14)20-3/h4-5H,6-7,17H2,1-3H3.
What are the key properties of [5-chloro-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-methoxyphenyl]methanamine?
[5-chloro-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-methoxyphenyl]methanamine has a molecular weight of 330.22 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-methoxyphenyl]methanamine is sourced from PubChem (CID 104664220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).