trans-(1S,2S)-N-[(5-fluoro-2-pyridinyl)methyl]-2-methoxycyclohexan-1-amine

C13H19FN2O — CID 168750299

IUPACtrans-(1S,2S)-N-[(5-fluoro-2-pyridinyl)methyl]-2-methoxycyclohexan-1-amine
SMILESCO[C@H]1CCCC[C@@H]1NCc1ccc(F)cn1
InChIInChI=1S/C13H19FN2O/c1-17-13-5-3-2-4-12(13)16-9-11-7-6-10(14)8-15-11/h6-8,12-13,16H,2-5,9H2,1H3/t12-,13-/m0/s1
InChIKeySRPXCHCRLDJIGJ-STQMWFEESA-N
MW238.31 g/mol
LogP2.27
Rot. Bonds4

About trans-(1S,2S)-N-[(5-fluoro-2-pyridinyl)methyl]-2-methoxycyclohexan-1-amine

trans-(1S,2S)-N-[(5-fluoro-2-pyridinyl)methyl]-2-methoxycyclohexan-1-amine (PubChem CID 168750299) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(5-fluoro-2-pyridinyl)methyl]-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(5-fluoro-2-pyridinyl)methyl]-2-methoxycyclohexan-1-amine
PubChem CID168750299
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Nametrans-(1S,2S)-N-[(5-fluoro-2-pyridinyl)methyl]-2-methoxycyclohexan-1-amine
SMILESCO[C@H]1CCCC[C@@H]1NCc1ccc(F)cn1
InChIInChI=1S/C13H19FN2O/c1-17-13-5-3-2-4-12(13)16-9-11-7-6-10(14)8-15-11/h6-8,12-13,16H,2-5,9H2,1H3/t12-,13-/m0/s1
InChIKeySRPXCHCRLDJIGJ-STQMWFEESA-N
XLogP2.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanol, 2-((2-pyridinylmethyl)amino)-
CID 81135
N-(2,2-diethoxyethyl)pyridine-2-methylamine
CID 81407
2-Propanol, 1-[(2-pyridinylmethyl)amino]-
CID 111406
2-(Cyclohexylaminomethyl)pyridine
CID 791938
2-{[(Pyridin-2-yl)methyl]amino}butan-1-ol
CID 4712765
(2-Methoxyethyl)((pyridin-2-yl)methyl)amine
CID 4723821
2-Methoxy-1-(pyridin-2-yl)ethan-1-amine
CID 45791144
(2-Methoxy-1-pyridin-2-ylethyl)methylamine
CID 45791145
3-[(Pyridin-2-yl)methyl]morpholine dihydrochloride
CID 155820202
(1-Ethylpropyl)(2-morpholin-4-yl-2-pyridin-2-ylethyl)amine
CID 50962930
N-[(4-methylmorpholin-2-yl)methyl]-2-pyridin-2-ylethanamine
CID 53584337
1-(4-ethylmorpholin-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 53592771

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(5-fluoro-2-pyridinyl)methyl]-2-methoxycyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-N-[(5-fluoro-2-pyridinyl)methyl]-2-methoxycyclohexan-1-amine (CID 168750299) is trans-(1S,2S)-N-[(5-fluoro-2-pyridinyl)methyl]-2-methoxycyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-N-[(5-fluoro-2-pyridinyl)methyl]-2-methoxycyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-N-[(5-fluoro-2-pyridinyl)methyl]-2-methoxycyclohexan-1-amine is CO[C@H]1CCCC[C@@H]1NCc1ccc(F)cn1.
What is the InChIKey of trans-(1S,2S)-N-[(5-fluoro-2-pyridinyl)methyl]-2-methoxycyclohexan-1-amine?
The InChIKey is SRPXCHCRLDJIGJ-STQMWFEESA-N. The full InChI is InChI=1S/C13H19FN2O/c1-17-13-5-3-2-4-12(13)16-9-11-7-6-10(14)8-15-11/h6-8,12-13,16H,2-5,9H2,1H3/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[(5-fluoro-2-pyridinyl)methyl]-2-methoxycyclohexan-1-amine?
trans-(1S,2S)-N-[(5-fluoro-2-pyridinyl)methyl]-2-methoxycyclohexan-1-amine has a molecular weight of 238.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(5-fluoro-2-pyridinyl)methyl]-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 168750299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).