[2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine

C12H14ClN3O — CID 82866452

IUPAC[2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
SMILESCn1ccc(COc2cccc(Cl)c2CN)n1
InChIInChI=1S/C12H14ClN3O/c1-16-6-5-9(15-16)8-17-12-4-2-3-11(13)10(12)7-14/h2-6H,7-8,14H2,1H3
InChIKeyQIJKXGHJXAVMNS-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.11
Rot. Bonds4

About [2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine

[2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine (PubChem CID 82866452) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is [2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
PubChem CID82866452
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name[2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
SMILESCn1ccc(COc2cccc(Cl)c2CN)n1
InChIInChI=1S/C12H14ClN3O/c1-16-6-5-9(15-16)8-17-12-4-2-3-11(13)10(12)7-14/h2-6H,7-8,14H2,1H3
InChIKeyQIJKXGHJXAVMNS-UHFFFAOYSA-N
XLogP2.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 114318408
3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole
CID 159947437
[2-chloro-6-(1-methylimidazol-2-yl)oxyphenyl]methanamine
CID 114323851
1-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine
CID 82876572
5-[2-(aminomethyl)-3-chlorophenoxy]pentanenitrile
CID 114318568
[2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 113276561
2,3-dichloro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82869265
[2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 114318303
[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 82866670
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
[2-chloro-6-[(3,4-dimethylphenyl)methoxy]phenyl]methanamine
CID 114318594
3-[2-(aminomethyl)-3-chlorophenoxy]-1-methylpyrazin-2-one
CID 114323844

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine?
The IUPAC name of [2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine (CID 82866452) is [2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine is Cn1ccc(COc2cccc(Cl)c2CN)n1.
What is the InChIKey of [2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine?
The InChIKey is QIJKXGHJXAVMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-16-6-5-9(15-16)8-17-12-4-2-3-11(13)10(12)7-14/h2-6H,7-8,14H2,1H3.
What are the key properties of [2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine?
[2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine has a molecular weight of 251.72 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 82866452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).