1-[3-[cyclopentyl(difluoro)methyl]phenyl]-N-methyl-2-phenyl-1-pyridin-2-ylethanamine

C26H28F2N2 — CID 143473044

IUPAC1-[3-[cyclopentyl(difluoro)methyl]phenyl]-N-methyl-2-phenyl-1-pyridin-2-ylethanamine
SMILESCNC(Cc1ccccc1)(c1cccc(C(F)(F)C2CCCC2)c1)c1ccccn1
InChIInChI=1S/C26H28F2N2/c1-29-25(24-16-7-8-17-30-24,19-20-10-3-2-4-11-20)22-14-9-15-23(18-22)26(27,28)21-12-5-6-13-21/h2-4,7-11,14-18,21,29H,5-6,12-13,19H2,1H3
InChIKeyONYRUFFHRAWWSG-UHFFFAOYSA-N
MW406.52 g/mol
LogP6.07
Rot. Bonds7

About 1-[3-[cyclopentyl(difluoro)methyl]phenyl]-N-methyl-2-phenyl-1-pyridin-2-ylethanamine

1-[3-[cyclopentyl(difluoro)methyl]phenyl]-N-methyl-2-phenyl-1-pyridin-2-ylethanamine (PubChem CID 143473044) has the molecular formula C26H28F2N2 and a molecular weight of 406.52 g/mol. Its IUPAC name is 1-[3-[cyclopentyl(difluoro)methyl]phenyl]-N-methyl-2-phenyl-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name1-[3-[cyclopentyl(difluoro)methyl]phenyl]-N-methyl-2-phenyl-1-pyridin-2-ylethanamine
PubChem CID143473044
Molecular FormulaC26H28F2N2
Molecular Weight406.52 g/mol
Exact Mass406.22
IUPAC Name1-[3-[cyclopentyl(difluoro)methyl]phenyl]-N-methyl-2-phenyl-1-pyridin-2-ylethanamine
SMILESCNC(Cc1ccccc1)(c1cccc(C(F)(F)C2CCCC2)c1)c1ccccn1
InChIInChI=1S/C26H28F2N2/c1-29-25(24-16-7-8-17-30-24,19-20-10-3-2-4-11-20)22-14-9-15-23(18-22)26(27,28)21-12-5-6-13-21/h2-4,7-11,14-18,21,29H,5-6,12-13,19H2,1H3
InChIKeyONYRUFFHRAWWSG-UHFFFAOYSA-N
XLogP6.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.52
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 58921043
1-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)phenyl]-N-methyl-2-phenylethanamine
CID 143474285
1-cyclopentyl-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
CID 58921712
N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-1-en-2-ylpiperidine-4-carboxamide
CID 58921319
1-(3,5-difluorophenyl)-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 58920853
3-[cyclohexyl(difluoro)methyl]aniline
CID 116840035
N-(cyclopropylmethyl)-1-(3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 143473450
2-[cyclopropyl(difluoro)methyl]pyridine
CID 116841751
1-[3-(1,1-difluoroethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
CID 58920992
methyl 3-[[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]benzoate
CID 58920993
N-[1-phenyl-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide
CID 143473581
1-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 58919948

Frequently Asked Questions

What is the IUPAC name of 1-[3-[cyclopentyl(difluoro)methyl]phenyl]-N-methyl-2-phenyl-1-pyridin-2-ylethanamine?
The IUPAC name of 1-[3-[cyclopentyl(difluoro)methyl]phenyl]-N-methyl-2-phenyl-1-pyridin-2-ylethanamine (CID 143473044) is 1-[3-[cyclopentyl(difluoro)methyl]phenyl]-N-methyl-2-phenyl-1-pyridin-2-ylethanamine.
What is the SMILES notation for 1-[3-[cyclopentyl(difluoro)methyl]phenyl]-N-methyl-2-phenyl-1-pyridin-2-ylethanamine?
The canonical SMILES for 1-[3-[cyclopentyl(difluoro)methyl]phenyl]-N-methyl-2-phenyl-1-pyridin-2-ylethanamine is CNC(Cc1ccccc1)(c1cccc(C(F)(F)C2CCCC2)c1)c1ccccn1.
What is the InChIKey of 1-[3-[cyclopentyl(difluoro)methyl]phenyl]-N-methyl-2-phenyl-1-pyridin-2-ylethanamine?
The InChIKey is ONYRUFFHRAWWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N2/c1-29-25(24-16-7-8-17-30-24,19-20-10-3-2-4-11-20)22-14-9-15-23(18-22)26(27,28)21-12-5-6-13-21/h2-4,7-11,14-18,21,29H,5-6,12-13,19H2,1H3.
What are the key properties of 1-[3-[cyclopentyl(difluoro)methyl]phenyl]-N-methyl-2-phenyl-1-pyridin-2-ylethanamine?
1-[3-[cyclopentyl(difluoro)methyl]phenyl]-N-methyl-2-phenyl-1-pyridin-2-ylethanamine has a molecular weight of 406.52 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[cyclopentyl(difluoro)methyl]phenyl]-N-methyl-2-phenyl-1-pyridin-2-ylethanamine is sourced from PubChem (CID 143473044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).