N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]ethanamine

C14H18ClN3O — CID 55073469

IUPACN-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCCn2cc(Cl)cn2)cc1
InChIInChI=1S/C14H18ClN3O/c1-2-16-9-12-3-5-14(6-4-12)19-8-7-18-11-13(15)10-17-18/h3-6,10-11,16H,2,7-9H2,1H3
InChIKeyFCMIPCKUQNNPHI-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.72
Rot. Bonds7

About N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]ethanamine

N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]ethanamine (PubChem CID 55073469) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]ethanamine
PubChem CID55073469
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC NameN-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCCn2cc(Cl)cn2)cc1
InChIInChI=1S/C14H18ClN3O/c1-2-16-9-12-3-5-14(6-4-12)19-8-7-18-11-13(15)10-17-18/h3-6,10-11,16H,2,7-9H2,1H3
InChIKeyFCMIPCKUQNNPHI-UHFFFAOYSA-N
XLogP2.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62440381
4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide
CID 55214069
N-[[1-[2-(3-bromophenoxy)ethyl]pyrazol-4-yl]methyl]ethanamine
CID 55110916
2-methyl-N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62447638
4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole
CID 52731677
N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62447636
N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19283405
2-(4-chlorophenoxy)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283314
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 62448294
1-(4-chloropyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 109411848
1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine
CID 62138455

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]ethanamine (CID 55073469) is N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]ethanamine is CCNCc1ccc(OCCn2cc(Cl)cn2)cc1.
What is the InChIKey of N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is FCMIPCKUQNNPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-2-16-9-12-3-5-14(6-4-12)19-8-7-18-11-13(15)10-17-18/h3-6,10-11,16H,2,7-9H2,1H3.
What are the key properties of N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]ethanamine?
N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 279.77 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 55073469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).