N-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C15H16FNO2 — CID 115466063

IUPACN-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCOc1ccc(NC2CCCc3occc32)cc1F
InChIInChI=1S/C15H16FNO2/c1-18-15-6-5-10(9-12(15)16)17-13-3-2-4-14-11(13)7-8-19-14/h5-9,13,17H,2-4H2,1H3
InChIKeyDDGNKNDSUZZJRA-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.92
Rot. Bonds3

About N-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 115466063) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID115466063
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCOc1ccc(NC2CCCc3occc32)cc1F
InChIInChI=1S/C15H16FNO2/c1-18-15-6-5-10(9-12(15)16)17-13-3-2-4-14-11(13)7-8-19-14/h5-9,13,17H,2-4H2,1H3
InChIKeyDDGNKNDSUZZJRA-UHFFFAOYSA-N
XLogP3.92
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465919
2-bromo-N-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686874
N-(2-chloro-4,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466185
N-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466145
N-(4-chloro-2-methoxy-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465900
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115465942
3-N,3-N,4-trimethyl-1-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzene-1,3-diamine
CID 115466645
3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol
CID 113315131
N-(2,3,4,5,6-pentafluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115564206
N-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465964
N-[(4-methoxy-3-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43435311
N-[(2-methoxy-5-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43431605

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 115466063) is N-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is COc1ccc(NC2CCCc3occc32)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is DDGNKNDSUZZJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-18-15-6-5-10(9-12(15)16)17-13-3-2-4-14-11(13)7-8-19-14/h5-9,13,17H,2-4H2,1H3.
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 261.30 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 115466063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).