N-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine

C14H18FN3O — CID 107686809

IUPACN-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCCn2cccn2)c(F)c1
InChIInChI=1S/C14H18FN3O/c1-2-16-11-12-4-5-14(13(15)10-12)19-9-8-18-7-3-6-17-18/h3-7,10,16H,2,8-9,11H2,1H3
InChIKeyRYRMDGMBNXAZKC-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.21
Rot. Bonds7

About N-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine

N-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine (PubChem CID 107686809) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
PubChem CID107686809
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCCn2cccn2)c(F)c1
InChIInChI=1S/C14H18FN3O/c1-2-16-11-12-4-5-14(13(15)10-12)19-9-8-18-7-3-6-17-18/h3-7,10,16H,2,8-9,11H2,1H3
InChIKeyRYRMDGMBNXAZKC-UHFFFAOYSA-N
XLogP2.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
CID 54962036
N-[(3-fluoro-4-pent-4-enoxyphenyl)methyl]ethanamine
CID 107686829
N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 107686825
N-[(3-fluoro-4-hept-6-enoxyphenyl)methyl]ethanamine
CID 107686926
[4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320707
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830
[3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 61491518
N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491603
N-[[3-fluoro-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 107687100
N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491520
N-[[4-[(3,5-dimethylphenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686901
N-[[3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 107686985

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine (CID 107686809) is N-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine is CCNCc1ccc(OCCn2cccn2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine?
The InChIKey is RYRMDGMBNXAZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-2-16-11-12-4-5-14(13(15)10-12)19-9-8-18-7-3-6-17-18/h3-7,10,16H,2,8-9,11H2,1H3.
What are the key properties of N-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine?
N-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine has a molecular weight of 263.32 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 107686809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).