(1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C15H20FNO2 — CID 129378888

IUPAC(1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCOc1cc([C@H](C)N[C@H]2C[C@H]3CC[C@H]2O3)ccc1F
InChIInChI=1S/C15H20FNO2/c1-9(10-3-5-12(16)15(7-10)18-2)17-13-8-11-4-6-14(13)19-11/h3,5,7,9,11,13-14,17H,4,6,8H2,1-2H3/t9-,11+,13-,14+/m0/s1
InChIKeyXNARCRRPBCTHPL-PCGAWMICSA-N
MW265.33 g/mol
LogP2.80
Rot. Bonds4

About (1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine

(1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 129378888) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID129378888
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCOc1cc([C@H](C)N[C@H]2C[C@H]3CC[C@H]2O3)ccc1F
InChIInChI=1S/C15H20FNO2/c1-9(10-3-5-12(16)15(7-10)18-2)17-13-8-11-4-6-14(13)19-11/h3,5,7,9,11,13-14,17H,4,6,8H2,1-2H3/t9-,11+,13-,14+/m0/s1
InChIKeyXNARCRRPBCTHPL-PCGAWMICSA-N
XLogP2.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

2-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 103881379
N-[1-(5-fluoro-3-pyridinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 103788624
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 82994281
cis-(1S,3R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-phenylcyclopentan-1-amine
CID 90768102
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715882
1-(4-fluoro-3-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 82993850
2-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]benzene-1,3-diol
CID 107711100
(1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
CID 83059190
4-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propyl]phenol
CID 80715696
N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 103904137
1-(4-fluoro-3-methoxyphenyl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine
CID 83059488
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43780431

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 129378888) is (1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine is COc1cc([C@H](C)N[C@H]2C[C@H]3CC[C@H]2O3)ccc1F.
What is the InChIKey of (1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is XNARCRRPBCTHPL-PCGAWMICSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-9(10-3-5-12(16)15(7-10)18-2)17-13-8-11-4-6-14(13)19-11/h3,5,7,9,11,13-14,17H,4,6,8H2,1-2H3/t9-,11+,13-,14+/m0/s1.
What are the key properties of (1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
(1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 265.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 129378888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).