1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine

C11H22FNO — CID 90980813

IUPAC1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine
SMILESCCC(NC)C1CCC(F)C(OC)C1
InChIInChI=1S/C11H22FNO/c1-4-10(13-2)8-5-6-9(12)11(7-8)14-3/h8-11,13H,4-7H2,1-3H3
InChIKeyLZLSKLKSYBXDLM-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.14
Rot. Bonds4

About 1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine

1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine (PubChem CID 90980813) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine
PubChem CID90980813
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine
SMILESCCC(NC)C1CCC(F)C(OC)C1
InChIInChI=1S/C11H22FNO/c1-4-10(13-2)8-5-6-9(12)11(7-8)14-3/h8-11,13H,4-7H2,1-3H3
InChIKeyLZLSKLKSYBXDLM-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine (CID 90980813) is 1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine is CCC(NC)C1CCC(F)C(OC)C1.
What is the InChIKey of 1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine?
The InChIKey is LZLSKLKSYBXDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-4-10(13-2)8-5-6-9(12)11(7-8)14-3/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine?
1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine has a molecular weight of 203.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine is sourced from PubChem (CID 90980813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).