N-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine

C18H28FN — CID 63516012

IUPACN-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2ccccc2F)CCCCCC1
InChIInChI=1S/C18H28FN/c1-17(2,3)20-14-18(12-8-4-5-9-13-18)15-10-6-7-11-16(15)19/h6-7,10-11,20H,4-5,8-9,12-14H2,1-3H3
InChIKeyOUAQQJMUVOSBAV-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.81
Rot. Bonds3

About N-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine

N-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine (PubChem CID 63516012) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
PubChem CID63516012
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC NameN-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2ccccc2F)CCCCCC1
InChIInChI=1S/C18H28FN/c1-17(2,3)20-14-18(12-8-4-5-9-13-18)15-10-6-7-11-16(15)19/h6-7,10-11,20H,4-5,8-9,12-14H2,1-3H3
InChIKeyOUAQQJMUVOSBAV-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine (CID 63516012) is N-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(c2ccccc2F)CCCCCC1.
What is the InChIKey of N-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine?
The InChIKey is OUAQQJMUVOSBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-17(2,3)20-14-18(12-8-4-5-9-13-18)15-10-6-7-11-16(15)19/h6-7,10-11,20H,4-5,8-9,12-14H2,1-3H3.
What are the key properties of N-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine?
N-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine has a molecular weight of 277.43 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63516012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).