N-[1-(2,6-difluorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine

C18H27F2N — CID 63449895

IUPACN-[1-(2,6-difluorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(Cc1c(F)cccc1F)NC1CCC(C(C)C)CC1
InChIInChI=1S/C18H27F2N/c1-12(2)14-7-9-15(10-8-14)21-13(3)11-16-17(19)5-4-6-18(16)20/h4-6,12-15,21H,7-11H2,1-3H3
InChIKeyFHVRBZAYQRZJSZ-UHFFFAOYSA-N
MW295.42 g/mol
LogP4.70
Rot. Bonds5

About N-[1-(2,6-difluorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine

N-[1-(2,6-difluorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63449895) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID63449895
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[1-(2,6-difluorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(Cc1c(F)cccc1F)NC1CCC(C(C)C)CC1
InChIInChI=1S/C18H27F2N/c1-12(2)14-7-9-15(10-8-14)21-13(3)11-16-17(19)5-4-6-18(16)20/h4-6,12-15,21H,7-11H2,1-3H3
InChIKeyFHVRBZAYQRZJSZ-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,6-difluorophenyl)propan-2-yl]-1,1-dioxothian-4-amine
CID 60942214
N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
CID 63428446
N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine
CID 65091426
N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
CID 115704573
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylthian-3-amine
CID 79957855
N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine
CID 115592320
1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine
CID 60942715
N-[1-(2,6-difluorophenyl)propan-2-yl]-4,4-dimethylthian-3-amine
CID 79948608
N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide
CID 61027207
3-[1-(2,6-difluorophenyl)propan-2-ylamino]pyrrolidine-2,5-dione
CID 54866793
N-[1-(2,6-difluorophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841090
N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 62702797

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine (CID 63449895) is N-[1-(2,6-difluorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine is CC(Cc1c(F)cccc1F)NC1CCC(C(C)C)CC1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is FHVRBZAYQRZJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-12(2)14-7-9-15(10-8-14)21-13(3)11-16-17(19)5-4-6-18(16)20/h4-6,12-15,21H,7-11H2,1-3H3.
What are the key properties of N-[1-(2,6-difluorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine?
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63449895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).