N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(5-methylfuran-2-yl)ethanamine

C18H22FNO2 — CID 45183220

IUPACN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(CCNCC2(c3cccc(F)c3)CCOC2)o1
InChIInChI=1S/C18H22FNO2/c1-14-5-6-17(22-14)7-9-20-12-18(8-10-21-13-18)15-3-2-4-16(19)11-15/h2-6,11,20H,7-10,12-13H2,1H3
InChIKeyZSIHFDKYYOZJPK-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.22
Rot. Bonds6

About N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(5-methylfuran-2-yl)ethanamine

N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(5-methylfuran-2-yl)ethanamine (PubChem CID 45183220) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(5-methylfuran-2-yl)ethanamine
PubChem CID45183220
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC NameN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(CCNCC2(c3cccc(F)c3)CCOC2)o1
InChIInChI=1S/C18H22FNO2/c1-14-5-6-17(22-14)7-9-20-12-18(8-10-21-13-18)15-3-2-4-16(19)11-15/h2-6,11,20H,7-10,12-13H2,1H3
InChIKeyZSIHFDKYYOZJPK-UHFFFAOYSA-N
XLogP3.22
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-furanyl)-N-[3-(2-furanyl)-4-methylpentyl]-4-phenylbutanamide
CID 3275785
N-(4-fluorobenzyl)-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 3606576
(4-Fluoro-benzyl)-(3-furan-2-yl-4-phenyl-butyl)-amine
CID 3751836
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 665239
N-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxan-4-amine
CID 4209474
N-[(2,2-dimethyltetrahydro-2H-pyran-4-yl)methyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 2939671
N-[3-(furan-2-yl)-4-phenylbutyl]acetamide
CID 665045
3-Furan-2-yl-N-(1-phenyl-cyclopentylmethyl)-acrylamide
CID 808606
4-methyl-4-(5-methyl-2-furyl)-N-[4-(trifluoromethyl)benzyl]-2-pentanamine
CID 2867758
N-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 2944894
3-Benzofuranmethylamine, 2-ethyl-N-(3-methoxypropyl)-
CID 56476
N-ethyl-3-(furan-2-yl)-4-phenylbutan-1-amine
CID 5149078

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(5-methylfuran-2-yl)ethanamine (CID 45183220) is N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(5-methylfuran-2-yl)ethanamine is Cc1ccc(CCNCC2(c3cccc(F)c3)CCOC2)o1.
What is the InChIKey of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(5-methylfuran-2-yl)ethanamine?
The InChIKey is ZSIHFDKYYOZJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-14-5-6-17(22-14)7-9-20-12-18(8-10-21-13-18)15-3-2-4-16(19)11-15/h2-6,11,20H,7-10,12-13H2,1H3.
What are the key properties of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(5-methylfuran-2-yl)ethanamine?
N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(5-methylfuran-2-yl)ethanamine has a molecular weight of 303.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 45183220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).