N-[2-(4-fluorophenoxy)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine

C20H26FN3O — CID 139464036

IUPACN-[2-(4-fluorophenoxy)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine
SMILESFc1ccc(OCCNCCCCc2ccc3c(n2)NCCC3)cc1
InChIInChI=1S/C20H26FN3O/c21-17-7-10-19(11-8-17)25-15-14-22-12-2-1-5-18-9-6-16-4-3-13-23-20(16)24-18/h6-11,22H,1-5,12-15H2,(H,23,24)
InChIKeyMDZIAJUWRXHPKC-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.57
Rot. Bonds9

About N-[2-(4-fluorophenoxy)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine

N-[2-(4-fluorophenoxy)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine (PubChem CID 139464036) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine
PubChem CID139464036
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine
SMILESFc1ccc(OCCNCCCCc2ccc3c(n2)NCCC3)cc1
InChIInChI=1S/C20H26FN3O/c21-17-7-10-19(11-8-17)25-15-14-22-12-2-1-5-18-9-6-16-4-3-13-23-20(16)24-18/h6-11,22H,1-5,12-15H2,(H,23,24)
InChIKeyMDZIAJUWRXHPKC-UHFFFAOYSA-N
XLogP3.57
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
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 N-[2-(4-fluorophenoxy)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine (CID 139464036) is N-[2-(4-fluorophenoxy)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine is Fc1ccc(OCCNCCCCc2ccc3c(n2)NCCC3)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine?
The InChIKey is MDZIAJUWRXHPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c21-17-7-10-19(11-8-17)25-15-14-22-12-2-1-5-18-9-6-16-4-3-13-23-20(16)24-18/h6-11,22H,1-5,12-15H2,(H,23,24).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine?
N-[2-(4-fluorophenoxy)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine has a molecular weight of 343.45 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine is sourced from PubChem (CID 139464036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).