N-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine

C18H27F2N — CID 64561227

IUPACN-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2ccc(F)cc2F)CCCCCC1
InChIInChI=1S/C18H27F2N/c1-17(2,3)21-13-18(10-6-4-5-7-11-18)15-9-8-14(19)12-16(15)20/h8-9,12,21H,4-7,10-11,13H2,1-3H3
InChIKeyOINJYOLBWGNVLW-UHFFFAOYSA-N
MW295.42 g/mol
LogP4.94
Rot. Bonds3

About N-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine

N-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine (PubChem CID 64561227) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
PubChem CID64561227
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2ccc(F)cc2F)CCCCCC1
InChIInChI=1S/C18H27F2N/c1-17(2,3)21-13-18(10-6-4-5-7-11-18)15-9-8-14(19)12-16(15)20/h8-9,12,21H,4-7,10-11,13H2,1-3H3
InChIKeyOINJYOLBWGNVLW-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[5-(2,4-difluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine
CID 65008669
N-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63516012
N-[[1-(2-chloro-4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 63038452
N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine
CID 64560260
3-[[1-(2,4-difluorophenyl)cyclopentyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 122066556
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 62595679
N-[[1-(2-chloro-4-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-2-amine
CID 64999293
N-[[1-(5-chloro-2-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63512396
[1-(2,4-difluorophenyl)cyclobutyl]methanol
CID 83686222
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595883
N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63511073
2-methyl-N-[(1-phenylcyclopentyl)methyl]propan-2-amine
CID 55091317

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine (CID 64561227) is N-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(c2ccc(F)cc2F)CCCCCC1.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine?
The InChIKey is OINJYOLBWGNVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-17(2,3)21-13-18(10-6-4-5-7-11-18)15-9-8-14(19)12-16(15)20/h8-9,12,21H,4-7,10-11,13H2,1-3H3.
What are the key properties of N-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine?
N-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine has a molecular weight of 295.42 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 64561227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).