(3S,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine

C13H18FNO — CID 97167911

IUPAC(3S,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine
SMILESCN[C@@H]1CCOC[C@H]1Cc1ccccc1F
InChIInChI=1S/C13H18FNO/c1-15-13-6-7-16-9-11(13)8-10-4-2-3-5-12(10)14/h2-5,11,13,15H,6-9H2,1H3/t11-,13-/m1/s1
InChIKeyFJIPUOKCBTZAPA-DGCLKSJQSA-N
MW223.29 g/mol
LogP1.99
Rot. Bonds3

About (3S,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine

(3S,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine (PubChem CID 97167911) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (3S,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine
PubChem CID97167911
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(3S,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine
SMILESCN[C@@H]1CCOC[C@H]1Cc1ccccc1F
InChIInChI=1S/C13H18FNO/c1-15-13-6-7-16-9-11(13)8-10-4-2-3-5-12(10)14/h2-5,11,13,15H,6-9H2,1H3/t11-,13-/m1/s1
InChIKeyFJIPUOKCBTZAPA-DGCLKSJQSA-N
XLogP1.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167910
(3R,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167909
3-[(2-chlorophenyl)methyl]-N-methyloxan-4-amine
CID 71648111
3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 106469193
3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 106469229
2-[(2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 61381499
3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 71648184
(3R,4R)-3-[(4-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167881
(3R,4S)-3-[(2,5-dichlorophenyl)methyl]-N-methyloxan-4-amine
CID 97167854
3-[(2,5-dichlorophenyl)methyl]-N-methyloxan-4-amine
CID 71648098
3-[(2-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 64908987
(3R,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide
CID 97169060

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine?
The IUPAC name of (3S,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine (CID 97167911) is (3S,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine.
What is the SMILES notation for (3S,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine?
The canonical SMILES for (3S,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine is CN[C@@H]1CCOC[C@H]1Cc1ccccc1F.
What is the InChIKey of (3S,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine?
The InChIKey is FJIPUOKCBTZAPA-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H18FNO/c1-15-13-6-7-16-9-11(13)8-10-4-2-3-5-12(10)14/h2-5,11,13,15H,6-9H2,1H3/t11-,13-/m1/s1.
What are the key properties of (3S,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine?
(3S,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine has a molecular weight of 223.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine is sourced from PubChem (CID 97167911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).