N-methyl-2-[(S)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;hydrochloride

C14H20ClN3O — CID 69346238

IUPACN-methyl-2-[(S)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;hydrochloride
SMILESCNCCO[C@@H](c1ccccc1)c1ccnn1C.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-15-10-11-18-14(12-6-4-3-5-7-12)13-8-9-16-17(13)2;/h3-9,14-15H,10-11H2,1-2H3;1H/t14-;/m0./s1
InChIKeySLBXGZQUWYQDLY-UQKRIMTDSA-N
MW281.79 g/mol
LogP2.17
Rot. Bonds6

About N-methyl-2-[(S)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;hydrochloride

N-methyl-2-[(S)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;hydrochloride (PubChem CID 69346238) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-methyl-2-[(S)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-[(S)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;hydrochloride
PubChem CID69346238
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-methyl-2-[(S)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;hydrochloride
SMILESCNCCO[C@@H](c1ccccc1)c1ccnn1C.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-15-10-11-18-14(12-6-4-3-5-7-12)13-8-9-16-17(13)2;/h3-9,14-15H,10-11H2,1-2H3;1H/t14-;/m0./s1
InChIKeySLBXGZQUWYQDLY-UQKRIMTDSA-N
XLogP2.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1-dideuterio-N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine
CID 59575915
1-methyl-5-[phenyl(3-pyrrolidin-1-ylpropoxy)methyl]pyrazole
CID 11514934
1-ethyl-2-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]piperidine
CID 11595069
N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine
CID 121429591
N-methyl-1-(2-methylpyrazol-3-yl)-2-phenylpropan-1-amine
CID 114029100
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine
CID 106757786
N,N-dimethyl-2-[[1-methyl-2-methylidene-3-[[methyl-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]amino]methyl]-3H-pyrazol-2-ium-5-yl]-phenylmethoxy]ethanamine
CID 91185010
2-methoxy-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 83827130
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 106757757
[(R)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate
CID 99858572
[(S)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate
CID 99858571
3-benzhydryloxy-N-propan-2-ylpropan-1-amine
CID 163865412

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(S)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;hydrochloride?
The IUPAC name of N-methyl-2-[(S)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;hydrochloride (CID 69346238) is N-methyl-2-[(S)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-[(S)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-[(S)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;hydrochloride is CNCCO[C@@H](c1ccccc1)c1ccnn1C.Cl.
What is the InChIKey of N-methyl-2-[(S)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;hydrochloride?
The InChIKey is SLBXGZQUWYQDLY-UQKRIMTDSA-N. The full InChI is InChI=1S/C14H19N3O.ClH/c1-15-10-11-18-14(12-6-4-3-5-7-12)13-8-9-16-17(13)2;/h3-9,14-15H,10-11H2,1-2H3;1H/t14-;/m0./s1.
What are the key properties of N-methyl-2-[(S)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;hydrochloride?
N-methyl-2-[(S)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;hydrochloride has a molecular weight of 281.79 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(S)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;hydrochloride is sourced from PubChem (CID 69346238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).