N-[[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine

C16H23F2N — CID 105411454

IUPACN-[[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCC1Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H23F2N/c1-16(2,3)19-10-13-5-4-12(13)6-11-7-14(17)9-15(18)8-11/h7-9,12-13,19H,4-6,10H2,1-3H3
InChIKeySNRXZTMZGZUHOT-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.92
Rot. Bonds4

About N-[[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine

N-[[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 105411454) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID105411454
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCC1Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H23F2N/c1-16(2,3)19-10-13-5-4-12(13)6-11-7-14(17)9-15(18)8-11/h7-9,12-13,19H,4-6,10H2,1-3H3
InChIKeySNRXZTMZGZUHOT-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine (CID 105411454) is N-[[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCC1Cc1cc(F)cc(F)c1.
What is the InChIKey of N-[[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is SNRXZTMZGZUHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-16(2,3)19-10-13-5-4-12(13)6-11-7-14(17)9-15(18)8-11/h7-9,12-13,19H,4-6,10H2,1-3H3.
What are the key properties of N-[[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine has a molecular weight of 267.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 105411454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).