2-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine

C14H18ClN3O — CID 83986652

IUPAC2-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine
SMILESCCOc1ccc(C(CN)c2cc(C)[nH]n2)cc1Cl
InChIInChI=1S/C14H18ClN3O/c1-3-19-14-5-4-10(7-12(14)15)11(8-16)13-6-9(2)17-18-13/h4-7,11H,3,8,16H2,1-2H3,(H,17,18)
InChIKeyQQHVSAPKJZAXOW-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.86
Rot. Bonds5

About 2-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine

2-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine (PubChem CID 83986652) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine
PubChem CID83986652
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine
SMILESCCOc1ccc(C(CN)c2cc(C)[nH]n2)cc1Cl
InChIInChI=1S/C14H18ClN3O/c1-3-19-14-5-4-10(7-12(14)15)11(8-16)13-6-9(2)17-18-13/h4-7,11H,3,8,16H2,1-2H3,(H,17,18)
InChIKeyQQHVSAPKJZAXOW-UHFFFAOYSA-N
XLogP2.86
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine
CID 83986824
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(4-ethoxy-3-methylphenyl)ethanamine
CID 83986850
(3-chloro-4-ethoxyphenyl)-methoxymethanamine
CID 116947279
1-(3-chloro-4-ethoxyphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948719
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
1-(3-chloro-4-ethoxyphenyl)propan-1-ol
CID 82629836
1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one
CID 116859678
2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid
CID 82296775
1-(3-chloro-4-ethoxyphenyl)-2-methylbutane-1,4-diamine
CID 116934028
(3-chloro-4-ethoxyphenyl)-(1H-imidazol-2-yl)methanamine
CID 116835164
2-(3-chloro-4-ethoxyphenyl)butan-1-ol
CID 116964115

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine (CID 83986652) is 2-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine is CCOc1ccc(C(CN)c2cc(C)[nH]n2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine?
The InChIKey is QQHVSAPKJZAXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-3-19-14-5-4-10(7-12(14)15)11(8-16)13-6-9(2)17-18-13/h4-7,11H,3,8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine?
2-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine has a molecular weight of 279.77 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine is sourced from PubChem (CID 83986652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).