N-[[5-(2,4-difluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine

C17H23F2N — CID 65008669

IUPACN-[[5-(2,4-difluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2ccc(F)cc2F)CC2(CC2)C1
InChIInChI=1S/C17H23F2N/c1-15(2,3)20-11-17(9-16(10-17)6-7-16)13-5-4-12(18)8-14(13)19/h4-5,8,20H,6-7,9-11H2,1-3H3
InChIKeyKIMVCFISQLIVOY-UHFFFAOYSA-N
MW279.37 g/mol
LogP4.16
Rot. Bonds3

About N-[[5-(2,4-difluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine

N-[[5-(2,4-difluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 65008669) has the molecular formula C17H23F2N and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID65008669
Molecular FormulaC17H23F2N
Molecular Weight279.37 g/mol
Exact Mass279.18
IUPAC NameN-[[5-(2,4-difluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2ccc(F)cc2F)CC2(CC2)C1
InChIInChI=1S/C17H23F2N/c1-15(2,3)20-11-17(9-16(10-17)6-7-16)13-5-4-12(18)8-14(13)19/h4-5,8,20H,6-7,9-11H2,1-3H3
InChIKeyKIMVCFISQLIVOY-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 64561227
N-[[1-(2-chloro-4-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-2-amine
CID 64999293
N-[[1-(2-chloro-4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 63038452
2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-2-amine
CID 65008178
N-[[2-(2-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine
CID 65003123
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595883
N-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine
CID 64999494
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 62595679
N-[[3,3-diethyl-1-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65004022
N-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63516012
N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine
CID 64560260
N-[[5-(4-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine
CID 65008825

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(2,4-difluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine (CID 65008669) is N-[[5-(2,4-difluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(c2ccc(F)cc2F)CC2(CC2)C1.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is KIMVCFISQLIVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N/c1-15(2,3)20-11-17(9-16(10-17)6-7-16)13-5-4-12(18)8-14(13)19/h4-5,8,20H,6-7,9-11H2,1-3H3.
What are the key properties of N-[[5-(2,4-difluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(2,4-difluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 279.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65008669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).