1,1-difluoro-N-[2-(3-methylcyclohexyl)ethyl]propan-2-amine

C12H23F2N — CID 102869604

IUPAC1,1-difluoro-N-[2-(3-methylcyclohexyl)ethyl]propan-2-amine
SMILESCC1CCCC(CCNC(C)C(F)F)C1
InChIInChI=1S/C12H23F2N/c1-9-4-3-5-11(8-9)6-7-15-10(2)12(13)14/h9-12,15H,3-8H2,1-2H3
InChIKeyAVVDTOQSJZUIIX-UHFFFAOYSA-N
MW219.32 g/mol
LogP3.45
Rot. Bonds5

About 1,1-difluoro-N-[2-(3-methylcyclohexyl)ethyl]propan-2-amine

1,1-difluoro-N-[2-(3-methylcyclohexyl)ethyl]propan-2-amine (PubChem CID 102869604) has the molecular formula C12H23F2N and a molecular weight of 219.32 g/mol. Its IUPAC name is 1,1-difluoro-N-[2-(3-methylcyclohexyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-[2-(3-methylcyclohexyl)ethyl]propan-2-amine
PubChem CID102869604
Molecular FormulaC12H23F2N
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name1,1-difluoro-N-[2-(3-methylcyclohexyl)ethyl]propan-2-amine
SMILESCC1CCCC(CCNC(C)C(F)F)C1
InChIInChI=1S/C12H23F2N/c1-9-4-3-5-11(8-9)6-7-15-10(2)12(13)14/h9-12,15H,3-8H2,1-2H3
InChIKeyAVVDTOQSJZUIIX-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-[2-(3-methylcyclohexyl)ethylamino]propan-2-ol
CID 106932149
ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine
CID 145095472
2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine
CID 114200146
(2R)-2-amino-N-[2-(3-methylcyclohexyl)ethyl]propanamide
CID 78966012
N-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091288
4-[2-[2-(3-methylcyclohexyl)ethylamino]propyl]phenol
CID 115494364
3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine
CID 64753022
N-(2-cyclopentylethyl)-3-methylbutan-2-amine
CID 60920356
N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757829
N'-hydroxy-2-[2-(3-methylcyclohexyl)ethylamino]butanimidamide
CID 77028515
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[2-(3-methylcyclohexyl)ethyl]propan-2-amine?
The IUPAC name of 1,1-difluoro-N-[2-(3-methylcyclohexyl)ethyl]propan-2-amine (CID 102869604) is 1,1-difluoro-N-[2-(3-methylcyclohexyl)ethyl]propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-[2-(3-methylcyclohexyl)ethyl]propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-[2-(3-methylcyclohexyl)ethyl]propan-2-amine is CC1CCCC(CCNC(C)C(F)F)C1.
What is the InChIKey of 1,1-difluoro-N-[2-(3-methylcyclohexyl)ethyl]propan-2-amine?
The InChIKey is AVVDTOQSJZUIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N/c1-9-4-3-5-11(8-9)6-7-15-10(2)12(13)14/h9-12,15H,3-8H2,1-2H3.
What are the key properties of 1,1-difluoro-N-[2-(3-methylcyclohexyl)ethyl]propan-2-amine?
1,1-difluoro-N-[2-(3-methylcyclohexyl)ethyl]propan-2-amine has a molecular weight of 219.32 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[2-(3-methylcyclohexyl)ethyl]propan-2-amine is sourced from PubChem (CID 102869604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).