(1R)-1-(3-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine

C13H18FNO — CID 81365715

IUPAC(1R)-1-(3-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
SMILESC[C@@H](NCC1(C)COC1)c1cccc(F)c1
InChIInChI=1S/C13H18FNO/c1-10(11-4-3-5-12(14)6-11)15-7-13(2)8-16-9-13/h3-6,10,15H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyMZHJXQJXHOFHPN-SNVBAGLBSA-N
MW223.29 g/mol
LogP2.51
Rot. Bonds4

About (1R)-1-(3-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine

(1R)-1-(3-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine (PubChem CID 81365715) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (1R)-1-(3-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
PubChem CID81365715
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(1R)-1-(3-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
SMILESC[C@@H](NCC1(C)COC1)c1cccc(F)c1
InChIInChI=1S/C13H18FNO/c1-10(11-4-3-5-12(14)6-11)15-7-13(2)8-16-9-13/h3-6,10,15H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyMZHJXQJXHOFHPN-SNVBAGLBSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 81382574
(3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol
CID 97108282
1-(2-chloro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 115719757
1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386409
2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81365372
3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270703
1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
CID 103904006
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
1-(6-chloro-3-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 115776741
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682704
N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine
CID 103742213
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155543

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(3-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine (CID 81365715) is (1R)-1-(3-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine is C[C@@H](NCC1(C)COC1)c1cccc(F)c1.
What is the InChIKey of (1R)-1-(3-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
The InChIKey is MZHJXQJXHOFHPN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10(11-4-3-5-12(14)6-11)15-7-13(2)8-16-9-13/h3-6,10,15H,7-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(3-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
(1R)-1-(3-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine has a molecular weight of 223.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine is sourced from PubChem (CID 81365715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).