N-[2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-5-(4-methoxyphenyl)pentan-1-amine

C24H32FNO3 — CID 10573128

IUPACN-[2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-5-(4-methoxyphenyl)pentan-1-amine
SMILESCOc1ccc(CCCCCNCCOc2cc(F)cc3c2OC(C)CC3)cc1
InChIInChI=1S/C24H32FNO3/c1-18-7-10-20-16-21(25)17-23(24(20)29-18)28-15-14-26-13-5-3-4-6-19-8-11-22(27-2)12-9-19/h8-9,11-12,16-18,26H,3-7,10,13-15H2,1-2H3
InChIKeyUBWLZYQXDRBUDO-UHFFFAOYSA-N
MW401.52 g/mol
LogP4.93
Rot. Bonds11

About N-[2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-5-(4-methoxyphenyl)pentan-1-amine

N-[2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-5-(4-methoxyphenyl)pentan-1-amine (PubChem CID 10573128) has the molecular formula C24H32FNO3 and a molecular weight of 401.52 g/mol. Its IUPAC name is N-[2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-5-(4-methoxyphenyl)pentan-1-amine.

Molecular Properties

Compound NameN-[2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-5-(4-methoxyphenyl)pentan-1-amine
PubChem CID10573128
Molecular FormulaC24H32FNO3
Molecular Weight401.52 g/mol
Exact Mass401.24
IUPAC NameN-[2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-5-(4-methoxyphenyl)pentan-1-amine
SMILESCOc1ccc(CCCCCNCCOc2cc(F)cc3c2OC(C)CC3)cc1
InChIInChI=1S/C24H32FNO3/c1-18-7-10-20-16-21(25)17-23(24(20)29-18)28-15-14-26-13-5-3-4-6-19-8-11-22(27-2)12-9-19/h8-9,11-12,16-18,26H,3-7,10,13-15H2,1-2H3
InChIKeyUBWLZYQXDRBUDO-UHFFFAOYSA-N
XLogP4.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 54.93
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-5-(4-methoxyphenyl)pentan-1-amine?
The IUPAC name of N-[2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-5-(4-methoxyphenyl)pentan-1-amine (CID 10573128) is N-[2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-5-(4-methoxyphenyl)pentan-1-amine.
What is the SMILES notation for N-[2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-5-(4-methoxyphenyl)pentan-1-amine?
The canonical SMILES for N-[2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-5-(4-methoxyphenyl)pentan-1-amine is COc1ccc(CCCCCNCCOc2cc(F)cc3c2OC(C)CC3)cc1.
What is the InChIKey of N-[2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-5-(4-methoxyphenyl)pentan-1-amine?
The InChIKey is UBWLZYQXDRBUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FNO3/c1-18-7-10-20-16-21(25)17-23(24(20)29-18)28-15-14-26-13-5-3-4-6-19-8-11-22(27-2)12-9-19/h8-9,11-12,16-18,26H,3-7,10,13-15H2,1-2H3.
What are the key properties of N-[2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-5-(4-methoxyphenyl)pentan-1-amine?
N-[2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-5-(4-methoxyphenyl)pentan-1-amine has a molecular weight of 401.52 g/mol, XLogP of 4.93, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-5-(4-methoxyphenyl)pentan-1-amine is sourced from PubChem (CID 10573128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).