trans-(1R,2R)-2-fluoro-N-(1-methoxypropan-2-yl)cyclohexan-1-amine

C10H20FNO — CID 126847803

IUPACtrans-(1R,2R)-2-fluoro-N-(1-methoxypropan-2-yl)cyclohexan-1-amine
SMILESCOCC(C)N[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C10H20FNO/c1-8(7-13-2)12-10-6-4-3-5-9(10)11/h8-10,12H,3-7H2,1-2H3/t8?,9-,10-/m1/s1
InChIKeyLYNXIMKNGOQIOF-VXRWAFEHSA-N
MW189.27 g/mol
LogP1.89
Rot. Bonds4

About trans-(1R,2R)-2-fluoro-N-(1-methoxypropan-2-yl)cyclohexan-1-amine

trans-(1R,2R)-2-fluoro-N-(1-methoxypropan-2-yl)cyclohexan-1-amine (PubChem CID 126847803) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is trans-(1R,2R)-2-fluoro-N-(1-methoxypropan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-fluoro-N-(1-methoxypropan-2-yl)cyclohexan-1-amine
PubChem CID126847803
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Nametrans-(1R,2R)-2-fluoro-N-(1-methoxypropan-2-yl)cyclohexan-1-amine
SMILESCOCC(C)N[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C10H20FNO/c1-8(7-13-2)12-10-6-4-3-5-9(10)11/h8-10,12H,3-7H2,1-2H3/t8?,9-,10-/m1/s1
InChIKeyLYNXIMKNGOQIOF-VXRWAFEHSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxyethyl)cyclohexanamine
CID 12687399
N-(2-methoxyethyl)cycloheptanamine
CID 22484521
N-(3-Methoxypropyl)cyclohexanamine
CID 28674201
1,2-Cyclohexanediamine, N,N'-bis(2-methoxyethyl)-, (1R,2R)-
CID 10966323
trans-N1-((R)-3,3,3-trifluoro-2-methoxypropyl)cyclohexane-1,4-diamine
CID 66937257
4-N-(3,3,3-trifluoro-2-methoxypropyl)cyclohexane-1,4-diamine
CID 66937259
4-N-(2-ethoxy-3,3,3-trifluoropropyl)cyclohexane-1,4-diamine
CID 123436184
5-fluoro-2-methoxy-N-methylcyclohexan-1-amine
CID 123802071
N-(4-fluorocyclohexyl)oxan-3-amine
CID 130726277
4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine
CID 146310597
4-N-[(2R)-2-ethoxy-3,3,3-trifluoropropyl]cyclohexane-1,4-diamine
CID 147713380
4-fluoro-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 164787018

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-fluoro-N-(1-methoxypropan-2-yl)cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-fluoro-N-(1-methoxypropan-2-yl)cyclohexan-1-amine (CID 126847803) is trans-(1R,2R)-2-fluoro-N-(1-methoxypropan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-fluoro-N-(1-methoxypropan-2-yl)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-fluoro-N-(1-methoxypropan-2-yl)cyclohexan-1-amine is COCC(C)N[C@@H]1CCCC[C@H]1F.
What is the InChIKey of trans-(1R,2R)-2-fluoro-N-(1-methoxypropan-2-yl)cyclohexan-1-amine?
The InChIKey is LYNXIMKNGOQIOF-VXRWAFEHSA-N. The full InChI is InChI=1S/C10H20FNO/c1-8(7-13-2)12-10-6-4-3-5-9(10)11/h8-10,12H,3-7H2,1-2H3/t8?,9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-fluoro-N-(1-methoxypropan-2-yl)cyclohexan-1-amine?
trans-(1R,2R)-2-fluoro-N-(1-methoxypropan-2-yl)cyclohexan-1-amine has a molecular weight of 189.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-fluoro-N-(1-methoxypropan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 126847803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).