N-[(4-ethylcyclohexyl)methyl]-1,1-difluoropropan-2-amine

C12H23F2N — CID 102869220

IUPACN-[(4-ethylcyclohexyl)methyl]-1,1-difluoropropan-2-amine
SMILESCCC1CCC(CNC(C)C(F)F)CC1
InChIInChI=1S/C12H23F2N/c1-3-10-4-6-11(7-5-10)8-15-9(2)12(13)14/h9-12,15H,3-8H2,1-2H3
InChIKeyRUEHXOQWTJBXNW-UHFFFAOYSA-N
MW219.32 g/mol
LogP3.45
Rot. Bonds5

About N-[(4-ethylcyclohexyl)methyl]-1,1-difluoropropan-2-amine

N-[(4-ethylcyclohexyl)methyl]-1,1-difluoropropan-2-amine (PubChem CID 102869220) has the molecular formula C12H23F2N and a molecular weight of 219.32 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-1,1-difluoropropan-2-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-1,1-difluoropropan-2-amine
PubChem CID102869220
Molecular FormulaC12H23F2N
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-1,1-difluoropropan-2-amine
SMILESCCC1CCC(CNC(C)C(F)F)CC1
InChIInChI=1S/C12H23F2N/c1-3-10-4-6-11(7-5-10)8-15-9(2)12(13)14/h9-12,15H,3-8H2,1-2H3
InChIKeyRUEHXOQWTJBXNW-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

Cyclohexaneethylamine, alpha,alpha-dimethyl-N-propyl-
CID 199973
Cyclohexaneethylamine, N-butyl-alpha,alpha-dimethyl-
CID 199974
2-(4,4-difluorocyclohexyl)-N-methylethan-1-amine
CID 84022133
((4,4-Difluorocyclohexyl)methyl)(methyl)amine hydrochloride
CID 146049846
N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 11506560
1-[4-(Trifluoromethyl)cyclohexyl]propan-1-amine
CID 79307361
N-methyl-4-(trifluoromethyl)cyclohexan-1-amine hydrochloride
CID 86011900
rac-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
CID 124508979
1-[4-(Trifluoromethyl)cyclohexyl]ethan-1-amine hydrochloride
CID 137838089
(2S,4S)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine
CID 138040164
((4-(Difluoromethyl)cyclohexyl)methyl)(methyl)amine hydrochloride
CID 154853012
N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine
CID 81385216

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-1,1-difluoropropan-2-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-1,1-difluoropropan-2-amine (CID 102869220) is N-[(4-ethylcyclohexyl)methyl]-1,1-difluoropropan-2-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-1,1-difluoropropan-2-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-1,1-difluoropropan-2-amine is CCC1CCC(CNC(C)C(F)F)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-1,1-difluoropropan-2-amine?
The InChIKey is RUEHXOQWTJBXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N/c1-3-10-4-6-11(7-5-10)8-15-9(2)12(13)14/h9-12,15H,3-8H2,1-2H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-1,1-difluoropropan-2-amine?
N-[(4-ethylcyclohexyl)methyl]-1,1-difluoropropan-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 N-[(4-ethylcyclohexyl)methyl]-1,1-difluoropropan-2-amine is sourced from PubChem (CID 102869220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).