N-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine

C16H19N3O — CID 105188541

IUPACN-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccnnc1)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H19N3O/c1-2-17-16(13-8-9-18-19-11-13)12-4-3-5-15(10-12)20-14-6-7-14/h3-5,8-11,14,16-17H,2,6-7H2,1H3
InChIKeyDAOJTCBFWIFCPB-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.72
Rot. Bonds6

About N-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine

N-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine (PubChem CID 105188541) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine
PubChem CID105188541
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccnnc1)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H19N3O/c1-2-17-16(13-8-9-18-19-11-13)12-4-3-5-15(10-12)20-14-6-7-14/h3-5,8-11,14,16-17H,2,6-7H2,1H3
InChIKeyDAOJTCBFWIFCPB-UHFFFAOYSA-N
XLogP2.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 114521537
N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine
CID 114521545
N-[(3-cyclopropyloxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 105051816
N-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105188592
N-[(5-bromo-4-methylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methyl]ethanamine
CID 105051665
N-[[3-(2-methylpropyl)phenyl]-pyridazin-4-ylmethyl]ethanamine
CID 105188044
1-(3-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 114521652
N-[(3-cyclopropyloxyphenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969279
1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine
CID 114521821
1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105051932
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine
CID 105051902

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine?
The IUPAC name of N-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine (CID 105188541) is N-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine is CCNC(c1ccnnc1)c1cccc(OC2CC2)c1.
What is the InChIKey of N-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine?
The InChIKey is DAOJTCBFWIFCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-17-16(13-8-9-18-19-11-13)12-4-3-5-15(10-12)20-14-6-7-14/h3-5,8-11,14,16-17H,2,6-7H2,1H3.
What are the key properties of N-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine?
N-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine has a molecular weight of 269.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine is sourced from PubChem (CID 105188541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).