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

C16H23N3O2 — CID 102999613

IUPACN-[[4-methoxy-3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)c(OCCc2cnn(C)c2)c1
InChIInChI=1S/C16H23N3O2/c1-4-17-10-13-5-6-15(20-3)16(9-13)21-8-7-14-11-18-19(2)12-14/h5-6,9,11-12,17H,4,7-8,10H2,1-3H3
InChIKeyQCOQRSJHIAVGIG-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.16
Rot. Bonds8

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

N-[[4-methoxy-3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine (PubChem CID 102999613) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[4-methoxy-3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methoxy-3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine
PubChem CID102999613
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[4-methoxy-3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)c(OCCc2cnn(C)c2)c1
InChIInChI=1S/C16H23N3O2/c1-4-17-10-13-5-6-15(20-3)16(9-13)21-8-7-14-11-18-19(2)12-14/h5-6,9,11-12,17H,4,7-8,10H2,1-3H3
InChIKeyQCOQRSJHIAVGIG-UHFFFAOYSA-N
XLogP2.16
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine
CID 102999588
N-[[3-bromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 102999738
N-[[3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine
CID 102999610
[3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999274
4-[2-[4-(bromomethyl)-2-ethoxyphenoxy]ethyl]-1-methylpyrazole
CID 103003729
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 79032760
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 62127738
N-[[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 114527142
N-[[3-bromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999740
N'-hydroxy-2-methoxy-5-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenecarboximidamide
CID 77066173
methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate
CID 63950104

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-methoxy-3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine (CID 102999613) is N-[[4-methoxy-3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methoxy-3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-methoxy-3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine is CCNCc1ccc(OC)c(OCCc2cnn(C)c2)c1.
What is the InChIKey of N-[[4-methoxy-3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is QCOQRSJHIAVGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-17-10-13-5-6-15(20-3)16(9-13)21-8-7-14-11-18-19(2)12-14/h5-6,9,11-12,17H,4,7-8,10H2,1-3H3.
What are the key properties of N-[[4-methoxy-3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine?
N-[[4-methoxy-3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 102999613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).