N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine

C15H15ClN2O3 — CID 43706361

IUPACN-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine
SMILESCCOc1ncccc1NCc1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C15H15ClN2O3/c1-2-19-15-12(4-3-5-17-15)18-8-10-6-11(16)14-13(7-10)20-9-21-14/h3-7,18H,2,8-9H2,1H3
InChIKeyHXDQDDQTKYZKBR-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.47
Rot. Bonds5

About N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine

N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine (PubChem CID 43706361) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine.

Molecular Properties

Compound NameN-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine
PubChem CID43706361
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC NameN-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine
SMILESCCOc1ncccc1NCc1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C15H15ClN2O3/c1-2-19-15-12(4-3-5-17-15)18-8-10-6-11(16)14-13(7-10)20-9-21-14/h3-7,18H,2,8-9H2,1H3
InChIKeyHXDQDDQTKYZKBR-UHFFFAOYSA-N
XLogP3.47
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine
CID 43706525
N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine
CID 106816379
1-(7-chloro-1,3-benzodioxol-5-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731707
N-[(2,4-dichlorophenyl)methyl]-2-ethoxypyridin-3-amine
CID 43706260
N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine
CID 43706520
2-ethoxy-N-[(4-ethylphenyl)methyl]pyridin-3-amine
CID 43706225
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxyaniline
CID 43143807
4-bromo-2-chloro-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]aniline
CID 43168123
2-ethoxy-N-[(4-ethoxyphenyl)methyl]pyridin-3-amine
CID 43706214
(1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401977
2-ethoxy-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 43706224
2-ethoxy-N-[(3-ethoxyphenyl)methyl]pyridin-3-amine
CID 60874271

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine?
The IUPAC name of N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine (CID 43706361) is N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine.
What is the SMILES notation for N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine?
The canonical SMILES for N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine is CCOc1ncccc1NCc1cc(Cl)c2c(c1)OCO2.
What is the InChIKey of N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine?
The InChIKey is HXDQDDQTKYZKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-2-19-15-12(4-3-5-17-15)18-8-10-6-11(16)14-13(7-10)20-9-21-14/h3-7,18H,2,8-9H2,1H3.
What are the key properties of N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine?
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine has a molecular weight of 306.75 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine is sourced from PubChem (CID 43706361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).