N-[[2-(difluoromethoxy)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine

C16H24F2N2O — CID 106603048

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ccccc1OC(F)F)CC1CCCN1
InChIInChI=1S/C16H24F2N2O/c1-12(2)20(11-14-7-5-9-19-14)10-13-6-3-4-8-15(13)21-16(17)18/h3-4,6,8,12,14,16,19H,5,7,9-11H2,1-2H3
InChIKeyVHLUTLYVXDTAPX-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.25
Rot. Bonds7

About N-[[2-(difluoromethoxy)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine

N-[[2-(difluoromethoxy)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine (PubChem CID 106603048) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
PubChem CID106603048
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ccccc1OC(F)F)CC1CCCN1
InChIInChI=1S/C16H24F2N2O/c1-12(2)20(11-14-7-5-9-19-14)10-13-6-3-4-8-15(13)21-16(17)18/h3-4,6,8,12,14,16,19H,5,7,9-11H2,1-2H3
InChIKeyVHLUTLYVXDTAPX-UHFFFAOYSA-N
XLogP3.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614617
2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol
CID 62022111
N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603065
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622184
N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603195
3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106614336
N-(2,2-difluoro-2-phenylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632139
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79538021
N-[[3-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603247
N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631924
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622603

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine (CID 106603048) is N-[[2-(difluoromethoxy)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine is CC(C)N(Cc1ccccc1OC(F)F)CC1CCCN1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The InChIKey is VHLUTLYVXDTAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-12(2)20(11-14-7-5-9-19-14)10-13-6-3-4-8-15(13)21-16(17)18/h3-4,6,8,12,14,16,19H,5,7,9-11H2,1-2H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
N-[[2-(difluoromethoxy)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine has a molecular weight of 298.38 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106603048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).