N-[(1-fluorocyclohexyl)methyl]-1-methoxypropan-2-amine

C11H22FNO — CID 126847945

IUPACN-[(1-fluorocyclohexyl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCC1(F)CCCCC1
InChIInChI=1S/C11H22FNO/c1-10(8-14-2)13-9-11(12)6-4-3-5-7-11/h10,13H,3-9H2,1-2H3
InChIKeyXXBLHWSGUZBNPA-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.28
Rot. Bonds5

About N-[(1-fluorocyclohexyl)methyl]-1-methoxypropan-2-amine

N-[(1-fluorocyclohexyl)methyl]-1-methoxypropan-2-amine (PubChem CID 126847945) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is N-[(1-fluorocyclohexyl)methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclohexyl)methyl]-1-methoxypropan-2-amine
PubChem CID126847945
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC NameN-[(1-fluorocyclohexyl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCC1(F)CCCCC1
InChIInChI=1S/C11H22FNO/c1-10(8-14-2)13-9-11(12)6-4-3-5-7-11/h10,13H,3-9H2,1-2H3
InChIKeyXXBLHWSGUZBNPA-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclohexyl)methyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[(1-fluorocyclohexyl)methyl]-1-methoxypropan-2-amine (CID 126847945) is N-[(1-fluorocyclohexyl)methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[(1-fluorocyclohexyl)methyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[(1-fluorocyclohexyl)methyl]-1-methoxypropan-2-amine is COCC(C)NCC1(F)CCCCC1.
What is the InChIKey of N-[(1-fluorocyclohexyl)methyl]-1-methoxypropan-2-amine?
The InChIKey is XXBLHWSGUZBNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-10(8-14-2)13-9-11(12)6-4-3-5-7-11/h10,13H,3-9H2,1-2H3.
What are the key properties of N-[(1-fluorocyclohexyl)methyl]-1-methoxypropan-2-amine?
N-[(1-fluorocyclohexyl)methyl]-1-methoxypropan-2-amine has a molecular weight of 203.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclohexyl)methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 126847945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).