2-methoxy-N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]ethanamine

C16H23N3O2 — CID 116802420

IUPAC2-methoxy-N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(Oc2cnn(C(C)C)c2)cc1
InChIInChI=1S/C16H23N3O2/c1-13(2)19-12-16(11-18-19)21-15-6-4-14(5-7-15)10-17-8-9-20-3/h4-7,11-13,17H,8-10H2,1-3H3
InChIKeyKECYQBFYIAFZGC-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.99
Rot. Bonds8

About 2-methoxy-N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]ethanamine

2-methoxy-N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]ethanamine (PubChem CID 116802420) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]ethanamine
PubChem CID116802420
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-methoxy-N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(Oc2cnn(C(C)C)c2)cc1
InChIInChI=1S/C16H23N3O2/c1-13(2)19-12-16(11-18-19)21-15-6-4-14(5-7-15)10-17-8-9-20-3/h4-7,11-13,17H,8-10H2,1-3H3
InChIKeyKECYQBFYIAFZGC-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 116802391
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 116803088
N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54810062
3-butoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 113234781
N-[(4-butan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 54798556
N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63072700
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 126967018
N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116793098
N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 116803075
N-[[4-(4-bromopyrazol-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 55148000

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]ethanamine (CID 116802420) is 2-methoxy-N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]ethanamine is COCCNCc1ccc(Oc2cnn(C(C)C)c2)cc1.
What is the InChIKey of 2-methoxy-N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]ethanamine?
The InChIKey is KECYQBFYIAFZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(2)19-12-16(11-18-19)21-15-6-4-14(5-7-15)10-17-8-9-20-3/h4-7,11-13,17H,8-10H2,1-3H3.
What are the key properties of 2-methoxy-N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]ethanamine?
2-methoxy-N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]ethanamine is sourced from PubChem (CID 116802420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).