N-[1-(3,3-difluorocyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine

C14H27F2NO — CID 114216091

IUPACN-[1-(3,3-difluorocyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine
SMILESCCCNC(COC(C)C)C1CCCC(F)(F)C1
InChIInChI=1S/C14H27F2NO/c1-4-8-17-13(10-18-11(2)3)12-6-5-7-14(15,16)9-12/h11-13,17H,4-10H2,1-3H3
InChIKeyQITUCMNACHWGCK-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.61
Rot. Bonds7

About N-[1-(3,3-difluorocyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine

N-[1-(3,3-difluorocyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine (PubChem CID 114216091) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[1-(3,3-difluorocyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,3-difluorocyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine
PubChem CID114216091
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC NameN-[1-(3,3-difluorocyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine
SMILESCCCNC(COC(C)C)C1CCCC(F)(F)C1
InChIInChI=1S/C14H27F2NO/c1-4-8-17-13(10-18-11(2)3)12-6-5-7-14(15,16)9-12/h11-13,17H,4-10H2,1-3H3
InChIKeyQITUCMNACHWGCK-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 21475576
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2-Cyclohexyl-2-fluoromorpholine
CID 67943994
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(2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine
CID 70229372
2-(2,5-difluorocyclohexyl)oxy-N-[(4-methylcyclohexyl)methyl]ethanamine
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CID 128268753

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-difluorocyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine?
The IUPAC name of N-[1-(3,3-difluorocyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine (CID 114216091) is N-[1-(3,3-difluorocyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,3-difluorocyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,3-difluorocyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine is CCCNC(COC(C)C)C1CCCC(F)(F)C1.
What is the InChIKey of N-[1-(3,3-difluorocyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine?
The InChIKey is QITUCMNACHWGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-4-8-17-13(10-18-11(2)3)12-6-5-7-14(15,16)9-12/h11-13,17H,4-10H2,1-3H3.
What are the key properties of N-[1-(3,3-difluorocyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine?
N-[1-(3,3-difluorocyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine has a molecular weight of 263.37 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-difluorocyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine is sourced from PubChem (CID 114216091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).