(4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine

C19H23F2N3 — CID 129475727

IUPAC(4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine
SMILESFc1ccc(F)c(CN(Cc2ccccn2)[C@@H]2CCCNCC2)c1
InChIInChI=1S/C19H23F2N3/c20-16-6-7-19(21)15(12-16)13-24(14-17-4-1-2-10-23-17)18-5-3-9-22-11-8-18/h1-2,4,6-7,10,12,18,22H,3,5,8-9,11,13-14H2/t18-/m1/s1
InChIKeyLWHIFMUCFIOCKI-GOSISDBHSA-N
MW331.41 g/mol
LogP3.50
Rot. Bonds5

About (4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine

(4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine (PubChem CID 129475727) has the molecular formula C19H23F2N3 and a molecular weight of 331.41 g/mol. Its IUPAC name is (4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine.

Molecular Properties

Compound Name(4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine
PubChem CID129475727
Molecular FormulaC19H23F2N3
Molecular Weight331.41 g/mol
Exact Mass331.19
IUPAC Name(4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine
SMILESFc1ccc(F)c(CN(Cc2ccccn2)[C@@H]2CCCNCC2)c1
InChIInChI=1S/C19H23F2N3/c20-16-6-7-19(21)15(12-16)13-24(14-17-4-1-2-10-23-17)18-5-3-9-22-11-8-18/h1-2,4,6-7,10,12,18,22H,3,5,8-9,11,13-14H2/t18-/m1/s1
InChIKeyLWHIFMUCFIOCKI-GOSISDBHSA-N
XLogP3.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine with MolForge

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Related Compounds

N-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 120844902
(4R)-N-(1,2-oxazol-3-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129323625
N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride
CID 129004801
N-(azepan-4-yl)-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 129008012
N-(3,3-dimethylbutyl)-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride
CID 120844899
N-ethyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 60806467
N-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]azepan-4-amine;hydrochloride
CID 120844959
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride
CID 119932338
(4R)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129332327
2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide
CID 120869661
2-[[azepan-4-yl(pyridin-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol;hydrochloride
CID 129002660
N-[(2-propan-2-ylpyrazol-3-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride
CID 120844953

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine?
The IUPAC name of (4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine (CID 129475727) is (4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine.
What is the SMILES notation for (4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine?
The canonical SMILES for (4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine is Fc1ccc(F)c(CN(Cc2ccccn2)[C@@H]2CCCNCC2)c1.
What is the InChIKey of (4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine?
The InChIKey is LWHIFMUCFIOCKI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23F2N3/c20-16-6-7-19(21)15(12-16)13-24(14-17-4-1-2-10-23-17)18-5-3-9-22-11-8-18/h1-2,4,6-7,10,12,18,22H,3,5,8-9,11,13-14H2/t18-/m1/s1.
What are the key properties of (4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine?
(4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine has a molecular weight of 331.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine is sourced from PubChem (CID 129475727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).