4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)butan-1-amine

C18H24N2O2 — CID 10935482

IUPAC4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)butan-1-amine
SMILESCOc1cccc(CCCCNCCOc2ccccn2)c1
InChIInChI=1S/C18H24N2O2/c1-21-17-9-6-8-16(15-17)7-2-4-11-19-13-14-22-18-10-3-5-12-20-18/h3,5-6,8-10,12,15,19H,2,4,7,11,13-14H2,1H3
InChIKeyKNABGQWLUPBQHM-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.08
Rot. Bonds10

About 4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)butan-1-amine

4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)butan-1-amine (PubChem CID 10935482) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)butan-1-amine
PubChem CID10935482
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)butan-1-amine
SMILESCOc1cccc(CCCCNCCOc2ccccn2)c1
InChIInChI=1S/C18H24N2O2/c1-21-17-9-6-8-16(15-17)7-2-4-11-19-13-14-22-18-10-3-5-12-20-18/h3,5-6,8-10,12,15,19H,2,4,7,11,13-14H2,1H3
InChIKeyKNABGQWLUPBQHM-UHFFFAOYSA-N
XLogP3.08
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)butan-1-amine?
The IUPAC name of 4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)butan-1-amine (CID 10935482) is 4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)butan-1-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)butan-1-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)butan-1-amine is COc1cccc(CCCCNCCOc2ccccn2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)butan-1-amine?
The InChIKey is KNABGQWLUPBQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-21-17-9-6-8-16(15-17)7-2-4-11-19-13-14-22-18-10-3-5-12-20-18/h3,5-6,8-10,12,15,19H,2,4,7,11,13-14H2,1H3.
What are the key properties of 4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)butan-1-amine?
4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)butan-1-amine has a molecular weight of 300.40 g/mol, XLogP of 3.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)butan-1-amine is sourced from PubChem (CID 10935482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).