(2S)-2-fluoro-N-methyl-3-[(3R)-oxan-3-yl]propan-1-amine

C9H18FNO — CID 129462352

IUPAC(2S)-2-fluoro-N-methyl-3-[(3R)-oxan-3-yl]propan-1-amine
SMILESCNC[C@@H](F)C[C@H]1CCCOC1
InChIInChI=1S/C9H18FNO/c1-11-6-9(10)5-8-3-2-4-12-7-8/h8-9,11H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyPRPHHPJNOXWTBN-BDAKNGLRSA-N
MW175.25 g/mol
LogP1.36
Rot. Bonds4

About (2S)-2-fluoro-N-methyl-3-[(3R)-oxan-3-yl]propan-1-amine

(2S)-2-fluoro-N-methyl-3-[(3R)-oxan-3-yl]propan-1-amine (PubChem CID 129462352) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (2S)-2-fluoro-N-methyl-3-[(3R)-oxan-3-yl]propan-1-amine.

Molecular Properties

Compound Name(2S)-2-fluoro-N-methyl-3-[(3R)-oxan-3-yl]propan-1-amine
PubChem CID129462352
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(2S)-2-fluoro-N-methyl-3-[(3R)-oxan-3-yl]propan-1-amine
SMILESCNC[C@@H](F)C[C@H]1CCCOC1
InChIInChI=1S/C9H18FNO/c1-11-6-9(10)5-8-3-2-4-12-7-8/h8-9,11H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyPRPHHPJNOXWTBN-BDAKNGLRSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl(2-(oxan-4-yl)ethyl)amine
CID 20719713
3-(Oxan-4-yl)piperidine
CID 82412654
4-Fluoro-4-(oxan-4-ylmethyl)piperidine
CID 112563080
4-[4-(4,4,4-Trifluorobutoxy)butyl]piperidine
CID 143045350
N-ethyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083057
N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083200
2-ethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083441
4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55083489
N,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55084087
N-ethyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55084137
N,2-dimethyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55107084
N-ethyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55107180

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-N-methyl-3-[(3R)-oxan-3-yl]propan-1-amine?
The IUPAC name of (2S)-2-fluoro-N-methyl-3-[(3R)-oxan-3-yl]propan-1-amine (CID 129462352) is (2S)-2-fluoro-N-methyl-3-[(3R)-oxan-3-yl]propan-1-amine.
What is the SMILES notation for (2S)-2-fluoro-N-methyl-3-[(3R)-oxan-3-yl]propan-1-amine?
The canonical SMILES for (2S)-2-fluoro-N-methyl-3-[(3R)-oxan-3-yl]propan-1-amine is CNC[C@@H](F)C[C@H]1CCCOC1.
What is the InChIKey of (2S)-2-fluoro-N-methyl-3-[(3R)-oxan-3-yl]propan-1-amine?
The InChIKey is PRPHHPJNOXWTBN-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18FNO/c1-11-6-9(10)5-8-3-2-4-12-7-8/h8-9,11H,2-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of (2S)-2-fluoro-N-methyl-3-[(3R)-oxan-3-yl]propan-1-amine?
(2S)-2-fluoro-N-methyl-3-[(3R)-oxan-3-yl]propan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-N-methyl-3-[(3R)-oxan-3-yl]propan-1-amine is sourced from PubChem (CID 129462352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).