N-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine

C15H21N3O — CID 102999924

IUPACN-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
SMILESCNCc1cccc(C)c1OCCc1cnn(C)c1
InChIInChI=1S/C15H21N3O/c1-12-5-4-6-14(10-16-2)15(12)19-8-7-13-9-17-18(3)11-13/h4-6,9,11,16H,7-8,10H2,1-3H3
InChIKeyKLJCSMOBIZNETA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.07
Rot. Bonds6

About N-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine

N-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine (PubChem CID 102999924) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
PubChem CID102999924
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
SMILESCNCc1cccc(C)c1OCCc1cnn(C)c1
InChIInChI=1S/C15H21N3O/c1-12-5-4-6-14(10-16-2)15(12)19-8-7-13-9-17-18(3)11-13/h4-6,9,11,16H,7-8,10H2,1-3H3
InChIKeyKLJCSMOBIZNETA-UHFFFAOYSA-N
XLogP2.07
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102999649
N-[[3-fluoro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999952
N-[[3-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 102999936
N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352
N-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine
CID 112608370
2-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 103013018
3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999366
1-(2-decoxy-3-methylphenyl)-N-methylmethanamine
CID 115952261
1-[2-(4,4-dimethylpentoxy)-3-methylphenyl]-N-methylmethanamine
CID 114209330
N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 112608398
2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile
CID 112608438
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730122

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine (CID 102999924) is N-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine is CNCc1cccc(C)c1OCCc1cnn(C)c1.
What is the InChIKey of N-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine?
The InChIKey is KLJCSMOBIZNETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-5-4-6-14(10-16-2)15(12)19-8-7-13-9-17-18(3)11-13/h4-6,9,11,16H,7-8,10H2,1-3H3.
What are the key properties of N-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine?
N-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 102999924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).