1-(cyclohexylmethoxy)-3-(4,4-difluorocyclohexyl)oxypropan-2-amine

C16H29F2NO2 — CID 164604618

IUPAC1-(cyclohexylmethoxy)-3-(4,4-difluorocyclohexyl)oxypropan-2-amine
SMILESNC(COCC1CCCCC1)COC1CCC(F)(F)CC1
InChIInChI=1S/C16H29F2NO2/c17-16(18)8-6-15(7-9-16)21-12-14(19)11-20-10-13-4-2-1-3-5-13/h13-15H,1-12,19H2
InChIKeyMWHLHZMPMPUGNI-UHFFFAOYSA-N
MW305.41 g/mol
LogP3.51
Rot. Bonds7

About 1-(cyclohexylmethoxy)-3-(4,4-difluorocyclohexyl)oxypropan-2-amine

1-(cyclohexylmethoxy)-3-(4,4-difluorocyclohexyl)oxypropan-2-amine (PubChem CID 164604618) has the molecular formula C16H29F2NO2 and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)-3-(4,4-difluorocyclohexyl)oxypropan-2-amine.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)-3-(4,4-difluorocyclohexyl)oxypropan-2-amine
PubChem CID164604618
Molecular FormulaC16H29F2NO2
Molecular Weight305.41 g/mol
Exact Mass305.22
IUPAC Name1-(cyclohexylmethoxy)-3-(4,4-difluorocyclohexyl)oxypropan-2-amine
SMILESNC(COCC1CCCCC1)COC1CCC(F)(F)CC1
InChIInChI=1S/C16H29F2NO2/c17-16(18)8-6-15(7-9-16)21-12-14(19)11-20-10-13-4-2-1-3-5-13/h13-15H,1-12,19H2
InChIKeyMWHLHZMPMPUGNI-UHFFFAOYSA-N
XLogP3.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)-3-(4,4-difluorocyclohexyl)oxypropan-2-amine?
The IUPAC name of 1-(cyclohexylmethoxy)-3-(4,4-difluorocyclohexyl)oxypropan-2-amine (CID 164604618) is 1-(cyclohexylmethoxy)-3-(4,4-difluorocyclohexyl)oxypropan-2-amine.
What is the SMILES notation for 1-(cyclohexylmethoxy)-3-(4,4-difluorocyclohexyl)oxypropan-2-amine?
The canonical SMILES for 1-(cyclohexylmethoxy)-3-(4,4-difluorocyclohexyl)oxypropan-2-amine is NC(COCC1CCCCC1)COC1CCC(F)(F)CC1.
What is the InChIKey of 1-(cyclohexylmethoxy)-3-(4,4-difluorocyclohexyl)oxypropan-2-amine?
The InChIKey is MWHLHZMPMPUGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F2NO2/c17-16(18)8-6-15(7-9-16)21-12-14(19)11-20-10-13-4-2-1-3-5-13/h13-15H,1-12,19H2.
What are the key properties of 1-(cyclohexylmethoxy)-3-(4,4-difluorocyclohexyl)oxypropan-2-amine?
1-(cyclohexylmethoxy)-3-(4,4-difluorocyclohexyl)oxypropan-2-amine has a molecular weight of 305.41 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)-3-(4,4-difluorocyclohexyl)oxypropan-2-amine is sourced from PubChem (CID 164604618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).