N-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine

C16H24F2N2O — CID 106605874

IUPACN-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCOCCN(Cc1cccc(C(F)F)c1)CC1CCCN1
InChIInChI=1S/C16H24F2N2O/c1-21-9-8-20(12-15-6-3-7-19-15)11-13-4-2-5-14(10-13)16(17)18/h2,4-5,10,15-16,19H,3,6-9,11-12H2,1H3
InChIKeySJOJOZUFWQEQNM-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.82
Rot. Bonds8

About N-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine

N-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106605874) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106605874
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCOCCN(Cc1cccc(C(F)F)c1)CC1CCCN1
InChIInChI=1S/C16H24F2N2O/c1-21-9-8-20(12-15-6-3-7-19-15)11-13-4-2-5-14(10-13)16(17)18/h2,4-5,10,15-16,19H,3,6-9,11-12H2,1H3
InChIKeySJOJOZUFWQEQNM-UHFFFAOYSA-N
XLogP2.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605797
N-[(3,4-dichlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606072
N-[(4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606243
2-methoxy-4-[[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106606311
N-[(3-bromo-4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606044
N-[(2,5-difluorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606335
N-[[3-(methoxymethyl)phenyl]methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623591
N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605110
3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106607121
N-[(2-cyclopropylphenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606362
N-[[3-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625184
3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819399

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106605874) is N-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine is COCCN(Cc1cccc(C(F)F)c1)CC1CCCN1.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is SJOJOZUFWQEQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-21-9-8-20(12-15-6-3-7-19-15)11-13-4-2-5-14(10-13)16(17)18/h2,4-5,10,15-16,19H,3,6-9,11-12H2,1H3.
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
N-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 298.38 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106605874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).